id stringlengths 36 36 | solution stringclasses 2
values | drug stringlengths 9 188 | problem stringlengths 59 245 |
|---|---|---|---|
ea8246aa-f4e5-4b41-9f3c-99c2d79b2954 | Yes | COc1ccc(CC[N@H+](C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | Does the drug listed below function as a hERG inhibitor? COc1ccc(CC[N@H+](C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC |
b9244345-c316-4d99-9e79-5dc8704c2048 | Yes | O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccccc2o1 | Does the drug listed below function as a hERG inhibitor? O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccccc2o1 |
1b84458b-b6bb-43b3-9a1a-ee9ea67cc5fc | No | CC(C)CC([NH+](C)C)C1(c2ccc(Cl)cc2)CCC1 | Does the specified drug exhibit hERG blocking activity? CC(C)CC([NH+](C)C)C1(c2ccc(Cl)cc2)CCC1 |
135efbfa-1736-4874-813f-b864a35209ba | Yes | C[NH2+]CCCC1c2ccccc2C=Cc2ccccc21 | Does the specified drug exhibit hERG blocking activity? C[NH2+]CCCC1c2ccccc2C=Cc2ccccc21 |
52b36e8c-fd4a-42f2-a185-eaf2f6f03003 | Yes | COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[NH+](CCCOc2ccc(F)cc2)C[C@@H]1OC | Check whether the given drug blocks hERG channels. COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[NH+](CCCOc2ccc(F)cc2)C[C@@H]1OC |
8d3bda7e-c6ae-4b5e-9ee2-b4f17f1b844a | Yes | CC[C@@H](O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | Check whether the given drug blocks hERG channels. CC[C@@H](O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 |
cd965a6d-f075-4da3-a77b-3cd97877afd7 | Yes | CCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 | Verify if this drug has hERG blocking properties. CCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 |
bedc738a-c7fa-4c1a-aa60-4bb798921682 | No | C[NH+]1[C@H]2CC[C@@H]1[C@@H](C(=O)[O-])[C@H](OC(=O)c1ccccc1)C2 | Verify if this drug has hERG blocking properties. C[NH+]1[C@H]2CC[C@@H]1[C@@H](C(=O)[O-])[C@H](OC(=O)c1ccccc1)C2 |
7a24e4eb-cf10-4ac7-9ccc-149da3773a9f | Yes | CC(=O)OCOC(=O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O | Is the drug in question known to block hERG channels? CC(=O)OCOC(=O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O |
e2662210-e29a-49f0-b1cc-7a70287ff911 | No | CCCC1=N[N+](C)=C2C(=O)N=C(c3cc(S(=O)(=O)N4CC[NH+](C)CC4)ccc3OCC)N=C12 | Verify if this drug has hERG blocking properties. CCCC1=N[N+](C)=C2C(=O)N=C(c3cc(S(=O)(=O)N4CC[NH+](C)CC4)ccc3OCC)N=C12 |
cabdacbb-15a9-4947-9fb7-f0fb88d69bdb | No | CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 | Is the drug in question known to block hERG channels? CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 |
dc2d7bb5-87f1-4847-8113-16d0f2f58341 | Yes | O=C1NCCN1CCN1CCC(c2cn(C3CCCCC3)c3ccc(Cl)cc23)CC1 | Does this drug act as a hERG channel blocker? O=C1NCCN1CCN1CCC(c2cn(C3CCCCC3)c3ccc(Cl)cc23)CC1 |
1f89628a-764d-4ffd-98af-1df3cfd83687 | Yes | CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 | Determine if the following medication inhibits hERG potassium channels. CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 |
f84d5844-4d76-4e9b-b8eb-b1e7bd598d6d | Yes | CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 | Does the drug listed below function as a hERG inhibitor? CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 |
9c06f088-f62c-4214-9c5f-9e311a72e921 | Yes | COc1ccccc1OCC[NH2+]C[C@@H](O)COC1=CC=CC2=Nc3ccccc3[C@@H]12 | Is the drug provided capable of blocking hERG channels? COc1ccccc1OCC[NH2+]C[C@@H](O)COC1=CC=CC2=Nc3ccccc3[C@@H]12 |
0fc1040c-c3bf-4d4e-af49-21dbff7372ae | Yes | CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 | Does the specified drug exhibit hERG blocking activity? CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 |
141640c0-cb24-4480-b08b-25749b3cf233 | Yes | COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1 | Check whether the given drug blocks hERG channels. COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1 |
f6898908-571e-4d1d-a368-90864cfa20fe | Yes | CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | Verify if this drug has hERG blocking properties. CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
3325b374-86b9-429e-9577-9b1c8cf1add8 | Yes | Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 | Verify if this drug has hERG blocking properties. Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 |
7b21fc6d-d0db-42d2-ad08-6319417e0e1f | Yes | CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12 | Does the specified drug exhibit hERG blocking activity? CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12 |
7b13e627-28ee-408d-9c78-0d609944c459 | Yes | CN(CCO)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 | Is the drug in question known to block hERG channels? CN(CCO)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 |
0b9feba2-9c07-479e-82d4-109268527b9d | Yes | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 | Check whether the given drug blocks hERG channels. O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 |
071ab7fb-4fba-4901-8abc-a9c81e030eb2 | Yes | C[NH+](C)CC/C=C1/c2ccccc2COc2ccccc21 | Is the drug in question known to block hERG channels? C[NH+](C)CC/C=C1/c2ccccc2COc2ccccc21 |
429095db-329b-4c6a-8bb5-28d151ea1986 | Yes | CC(CN1c2ccccc2CCc2ccccc21)C[NH+](C)C | Is the drug in question known to block hERG channels? CC(CN1c2ccccc2CCc2ccccc21)C[NH+](C)C |
3a2b6d81-6fc9-4c35-a0a3-07aa07b179e1 | No | OC(c1ccc(F)cc1)c1ccc(F)cc1 | Does the drug listed below function as a hERG inhibitor? OC(c1ccc(F)cc1)c1ccc(F)cc1 |
14657ad1-f104-4e5a-9af3-10ee8abd3761 | Yes | CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCC3CCCCC3)CC1=O)C2 | Does this drug act as a hERG channel blocker? CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCC3CCCCC3)CC1=O)C2 |
94cc5924-e4ff-4ac6-b0d2-5d1e7f553392 | Yes | CCOC(=O)C1=C[C@]2(CC)CCC[NH+]3CCc4c(n1c1ccccc41)[C@H]32 | Is this pharmaceutical compound a blocker of the hERG ion channel? CCOC(=O)C1=C[C@]2(CC)CCC[NH+]3CCc4c(n1c1ccccc41)[C@H]32 |
9a8e017f-2653-4121-97b8-c9b4ecbee01f | Yes | CC(C)(O)c1ccc([C@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | Determine if the following medication inhibits hERG potassium channels. CC(C)(O)c1ccc([C@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 |
12639486-b2f0-4a97-b3ad-01ef9caa4b1c | Yes | O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | Does the drug listed below function as a hERG inhibitor? O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 |
cacfda23-d602-4690-a003-3e92f11d59c6 | Yes | CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 | Is the drug in question known to block hERG channels? CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
6b1265a0-7a6e-4830-bf9e-6f468c716ac7 | Yes | CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)[NH+]1CCCC1 | Check whether the given drug blocks hERG channels. CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)[NH+]1CCCC1 |
4c4464f6-5c41-408f-b3bf-5b19e5e5afcf | No | CC(C)[NH+](CC[C@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | Does this drug act as a hERG channel blocker? CC(C)[NH+](CC[C@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C |
f100946a-d480-4168-b9c0-35a439e1be07 | Yes | O=C([C@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 | Is the drug in question known to block hERG channels? O=C([C@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 |
63a169fa-c420-4a88-9336-7fcacc1edb53 | Yes | C[C@@H](CN(C)C)[C@](C)(O)Cc1ccc(Cl)cc1 | Is the drug provided capable of blocking hERG channels? C[C@@H](CN(C)C)[C@](C)(O)Cc1ccc(Cl)cc1 |
16506cd1-44ee-49ae-8a38-319d84b4bbbc | Yes | C[C@H]1CN(c2ncccc2F)CCN1/C(=N/C#N)Nc1ccc(C(C)(C)C)cc1 | Is the drug provided capable of blocking hERG channels? C[C@H]1CN(c2ncccc2F)CCN1/C(=N/C#N)Nc1ccc(C(C)(C)C)cc1 |
9f43e36e-856c-46ff-a234-4c7bce80c144 | Yes | Cc1ccc(O)c([C@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1 | Assess if the following substance is a hERG blocker. Cc1ccc(O)c([C@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1 |
d0e6ec2d-1415-4293-a52d-2a6a5296ca83 | Yes | CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O | Does this drug act as a hERG channel blocker? CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O |
344d1427-0a84-44b9-ae87-f09aa78fc0c6 | No | Cc1ncc(CO)c(CO)c1O | Verify if this drug has hERG blocking properties. Cc1ncc(CO)c(CO)c1O |
9d794876-7420-4019-9676-48a4a82b2f5d | Yes | C[NH+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21 | Is this pharmaceutical compound a blocker of the hERG ion channel? C[NH+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21 |
5acceb68-5419-4954-a9ee-fb25585e2efd | Yes | COc1ccc(CCN(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC | Verify if this drug has hERG blocking properties. COc1ccc(CCN(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC |
d8f98937-7cd6-4692-8fcf-d612163337b8 | No | N[C@H](CCCCO)C(=O)O | Does the drug listed below function as a hERG inhibitor? N[C@H](CCCCO)C(=O)O |
b033f96b-40eb-4391-8586-f92b22dfcd6c | No | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | Does the drug listed below function as a hERG inhibitor? COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] |
ca6e0480-6d34-4dbd-a93d-fe44a7084234 | Yes | Fc1ccc(-n2cc(C3CCNCC3)c3cc(Cl)ccc32)cc1 | Is the drug in question known to block hERG channels? Fc1ccc(-n2cc(C3CCNCC3)c3cc(Cl)ccc32)cc1 |
13cc5ece-31c1-4325-b068-99a3eab1c554 | No | CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | Check whether the given drug blocks hERG channels. CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 |
2086d2a8-a8ec-4f0a-ba8d-a33036348000 | Yes | CC1=NC2=[N+](CCCC2)C(=O)C1CC[NH+]1CCC(c2noc3cc(F)ccc23)CC1 | Does the specified drug exhibit hERG blocking activity? CC1=NC2=[N+](CCCC2)C(=O)C1CC[NH+]1CCC(c2noc3cc(F)ccc23)CC1 |
38af1bf1-8546-491e-8c78-329f41c361a1 | No | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | Is the drug provided capable of blocking hERG channels? N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 |
69b44b4f-b9a9-4ee9-acc0-42495fd50f96 | Yes | Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1 | Assess if the following substance is a hERG blocker. Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1 |
bdf51a6c-2565-43de-a874-c2fc8431c6ad | No | NC(=O)NOC[C@H]1NC(=O)NC1=O | Assess if the following substance is a hERG blocker. NC(=O)NOC[C@H]1NC(=O)NC1=O |
f966a6c3-0f68-4eb3-b71f-e5e16ed7ea15 | Yes | CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C | Determine if the following medication inhibits hERG potassium channels. CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C |
e1279858-32c6-4545-b2e6-77685ddd07c5 | Yes | Cc1cccc(CC[NH+]2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1 | Check whether the given drug blocks hERG channels. Cc1cccc(CC[NH+]2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1 |
07291566-4101-41ee-ba2c-770e6cdd8bec | Yes | CCCC[NH+](CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C\c1ccc(Cl)cc1 | Does this drug act as a hERG channel blocker? CCCC[NH+](CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C\c1ccc(Cl)cc1 |
83ee2800-552d-41f8-b3ff-326c92951bc1 | No | Nc1nnnn1CCO | Determine if the following medication inhibits hERG potassium channels. Nc1nnnn1CCO |
945138f4-13c9-4541-9f26-f36df949ea4b | Yes | Fc1cccc2c([C@@H]3C[NH2+]CC[C@@H]3F)c(-c3ccccc3)[nH]c12 | Is this pharmaceutical compound a blocker of the hERG ion channel? Fc1cccc2c([C@@H]3C[NH2+]CC[C@@H]3F)c(-c3ccccc3)[nH]c12 |
f74dd3df-0a3f-4824-bfd6-bc68313dc8fd | Yes | O=C(OC1C[C@@H]2CC3C[C@H](C1)[NH+]2C[C@@H]3O)c1c[nH]c2ccccc12 | Does this drug act as a hERG channel blocker? O=C(OC1C[C@@H]2CC3C[C@H](C1)[NH+]2C[C@@H]3O)c1c[nH]c2ccccc12 |
24e24834-d5de-4c6b-922c-e7f799370f0d | No | O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@H](CN12)[C@H]34 | Check whether the given drug blocks hERG channels. O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@H](CN12)[C@H]34 |
23e8f85f-c421-4a9e-afab-e58a60650c09 | Yes | CC(C)(C)[C@@H](NC(=O)OCCO)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 | Check whether the given drug blocks hERG channels. CC(C)(C)[C@@H](NC(=O)OCCO)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 |
b6e14fdc-0091-4f38-9cfd-63d4fc4ebfb0 | No | CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 | Is the drug provided capable of blocking hERG channels? CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 |
a38a12e3-d26a-4fac-934e-e28e5b729c52 | Yes | Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | Does this drug act as a hERG channel blocker? Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 |
ff891a81-04fa-4f6c-9a8d-aa963e944f78 | Yes | Nc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)C[NH+](Cc2ccccc2)C3)cc1 | Does the drug listed below function as a hERG inhibitor? Nc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)C[NH+](Cc2ccccc2)C3)cc1 |
4f0344ba-e2f3-4f0f-aadc-c8f10f608f62 | Yes | OCC[NH+]1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | Is the drug in question known to block hERG channels? OCC[NH+]1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 |
295bc652-7492-4958-83a7-e6055657099d | No | O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | Is the drug in question known to block hERG channels? O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 |
bf78b59e-3aa2-4823-b4d8-420cd5d4a170 | Yes | Fc1ccc2c(C3C[NH2+]CCC3F)c(-c3ccsc3)[nH]c2c1 | Does the specified drug exhibit hERG blocking activity? Fc1ccc2c(C3C[NH2+]CCC3F)c(-c3ccsc3)[nH]c2c1 |
151e7a18-d32c-4d3c-b968-fc9d65278787 | Yes | COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC | Verify if this drug has hERG blocking properties. COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC |
4e94886f-febd-4bd8-88e7-9c99bf13e90e | No | CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@]1(C)O | Does this drug act as a hERG channel blocker? CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@]1(C)O |
c50c3fa7-bb75-407a-9af6-7dd0de571d35 | Yes | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | Check whether the given drug blocks hERG channels. CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 |
fa591423-f813-4f0c-9122-46e221d21ef6 | No | CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1 | Verify if this drug has hERG blocking properties. CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1 |
c1744b10-3afb-4881-80ea-ccd07ae1b01c | No | CC(C)n1c(/C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 | Is this pharmaceutical compound a blocker of the hERG ion channel? CC(C)n1c(/C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 |
79e7de0e-057a-46c6-8c7c-806818ade982 | No | C/C=C1\N(C)[C@H](C)CC1(c1ccccc1)c1ccccc1 | Does the specified drug exhibit hERG blocking activity? C/C=C1\N(C)[C@H](C)CC1(c1ccccc1)c1ccccc1 |
7017eac2-5f9c-47f0-910f-51592bb67d6d | Yes | Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O | Check whether the given drug blocks hERG channels. Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O |
ee7bb8ac-bd4d-4d65-8cfd-eb7714d9f6f0 | Yes | N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2CCN(C(=O)c3cccnc3[S-])C2=O)cc1 | Is this pharmaceutical compound a blocker of the hERG ion channel? N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2CCN(C(=O)c3cccnc3[S-])C2=O)cc1 |
58eea172-3e77-47b7-a776-249dc35e0ac2 | Yes | Oc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 | Does the drug listed below function as a hERG inhibitor? Oc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 |
b5ac35a4-4179-4cd4-a12a-1f9c5b926f6e | Yes | Cc1ccc(-c2nc(NC(=O)CN3CCCN(C)CC3)cc(-n3nccc3C)n2)o1 | Check whether the given drug blocks hERG channels. Cc1ccc(-c2nc(NC(=O)CN3CCCN(C)CC3)cc(-n3nccc3C)n2)o1 |
a18d47b0-40b9-4436-8a09-c6d02436d805 | Yes | COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CC[C@@H](O)C2)cc1OC | Check whether the given drug blocks hERG channels. COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CC[C@@H](O)C2)cc1OC |
7e2a98aa-1133-4cbc-ae52-0673ca1c0c7d | Yes | CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O | Assess if the following substance is a hERG blocker. CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O |
2006a9fa-84df-4c46-9209-1695adf482c8 | Yes | O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(F)cc2o1 | Is the drug provided capable of blocking hERG channels? O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(F)cc2o1 |
b0f031f6-feaf-4ddb-8651-e0b6835d542a | Yes | Cc1cc2c(s1)=Nc1ccccc1NC=2N1CCNCC1 | Does the specified drug exhibit hERG blocking activity? Cc1cc2c(s1)=Nc1ccccc1NC=2N1CCNCC1 |
d6d826a4-8eaf-4206-a17d-52b0f4a080bc | No | COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O | Does the specified drug exhibit hERG blocking activity? COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O |
095e1c93-eb88-46dd-adae-ef9f607545ad | No | O=C1NCCN1CC[NH+]1CCC(c2cn(C3CCCCC3)c3ccc(Cl)cc23)CC1 | Is the drug in question known to block hERG channels? O=C1NCCN1CC[NH+]1CCC(c2cn(C3CCCCC3)c3ccc(Cl)cc23)CC1 |
08b6c28c-9988-48d3-90fd-01a6935ff055 | No | C#CC[NH+](C)[C@H](C)Cc1ccccc1 | Assess if the following substance is a hERG blocker. C#CC[NH+](C)[C@H](C)Cc1ccccc1 |
fd6ff160-b0da-4d83-83ca-795e93f3f153 | Yes | CC(C)(C)[C@H](O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 | Does this drug act as a hERG channel blocker? CC(C)(C)[C@H](O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 |
0ebf3ead-ee85-45da-a31f-d6dfa3d5145c | No | CCCNC[C@@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1 | Is the drug provided capable of blocking hERG channels? CCCNC[C@@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1 |
09aeae59-25b3-4c2b-8f04-5d9b05f0bd17 | Yes | O=C1Cc2cc(CC[NH+]3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1 | Is the drug provided capable of blocking hERG channels? O=C1Cc2cc(CC[NH+]3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1 |
7fe19f7f-fe64-4cdb-a99e-bd8846a2b7db | Yes | CCc1c(C)[nH]c2c1/C(=N/NC(=O)Nc1ccccc1)CCC2 | Does the specified drug exhibit hERG blocking activity? CCc1c(C)[nH]c2c1/C(=N/NC(=O)Nc1ccccc1)CCC2 |
b8a3a675-a5d1-4f9c-a67f-78ec7b2e587f | Yes | O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | Is this pharmaceutical compound a blocker of the hERG ion channel? O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 |
ce4052ca-19e2-4528-b12b-4d6e83b9ad88 | No | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | Verify if this drug has hERG blocking properties. COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 |
65d67d17-19dd-4d9c-94fe-ba3ab5107f2d | No | NC(N)=NC[C@@H](N)C(=O)O | Does this drug act as a hERG channel blocker? NC(N)=NC[C@@H](N)C(=O)O |
9758696f-05a7-4e8f-9099-855249cfc830 | No | O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Cu+2] | Verify if this drug has hERG blocking properties. O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Cu+2] |
a7511b3c-ac7b-4f84-8e52-7f9a6bb42a14 | Yes | C[NH+]1CC[NH+](CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1 | Check whether the given drug blocks hERG channels. C[NH+]1CC[NH+](CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1 |
d921df25-7adb-42c7-85c3-4994481aef11 | Yes | CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | Determine if the following medication inhibits hERG potassium channels. CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 |
658d6e72-4402-4f66-8704-a8b499a0d938 | Yes | N#Cc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1 | Is the drug provided capable of blocking hERG channels? N#Cc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1 |
744f16dc-4808-402d-ba6e-7cba9d153736 | Yes | CCOC(=O)C1=C[C@]2(CC)CCC[NH+]3CCc4c(n1c1ccccc41)[C@@H]32 | Assess if the following substance is a hERG blocker. CCOC(=O)C1=C[C@]2(CC)CCC[NH+]3CCc4c(n1c1ccccc41)[C@@H]32 |
e893bb52-49bf-4292-9324-6cbb10b8a52c | Yes | Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@H]2CCC[NH2+]C2)cc1 | Is the drug provided capable of blocking hERG channels? Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@H]2CCC[NH2+]C2)cc1 |
6f790c55-4e86-4504-ad7c-d5db0e2d537c | Yes | O=c1cc[nH+]c(NCC2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)[nH]1 | Is the drug in question known to block hERG channels? O=c1cc[nH+]c(NCC2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)[nH]1 |
68ea0df6-3a64-4396-8666-9f5a742e192b | Yes | CCC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 | Does the drug listed below function as a hERG inhibitor? CCC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 |
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