DrugBank ID stringlengths 7 7 | Accession Numbers stringlengths 7 102 ⌀ | Common name stringlengths 3 226 | CAS stringlengths 7 12 ⌀ | UNII stringlengths 10 10 ⌀ | Synonyms stringlengths 2 1.48k ⌀ | Standard InChI Key stringlengths 27 27 ⌀ |
|---|---|---|---|---|---|---|
DB02325 | EXPT01912 | DB04402 | Isopropyl alcohol | 67-63-0 | ND2M416302 | 2-Propanol | Alcohol isopropílico | Isopropanol | Isopropyl alcohol | KFZMGEQAYNKOFK-UHFFFAOYSA-N |
DB02326 | EXPT01761 | DB07904 | 1-Hydroxyamine-2-Isobutylmalonic Acid | null | null | null | CINIOMOBGSHXRK-RXMQYKEDSA-N |
DB02327 | EXPT02598 | Triethylene glycol | 112-27-6 | 3P5SU53360 | null | ZIBGPFATKBEMQZ-UHFFFAOYSA-N |
DB02328 | EXPT01727 | 2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid | null | null | null | VKWJKURKEYQKKW-ZCOJICPHSA-N |
DB02329 | EXPT00848 | Carbenoxolone | 5697-56-3 | MM6384NG73 | Carbenoxolona | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N |
DB02331 | EXPT00040 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | null | null | null | YBULOUKTPCHXAL-DEOSSOPVSA-N |
DB02332 | EXPT01392 | Flavin-N7 protonated-adenine dinucleotide | null | null | null | VWWQXMAJTJZDQX-UYBVJOGSSA-O |
DB02333 | EXPT01301 | Deoxyuridine-5'-Triphosphate | null | null | null | AHCYMLUZIRLXAA-SHYZEUOFSA-N |
DB02334 | EXPT00192 | (R)-2-Hydroxy-3-Sulfopropanoic Acid | null | null | null | CQQGIWJSICOUON-REOHCLBHSA-N |
DB02335 | EXPT00587 | 2-Aminothiazoline | 1779-81-3 | 5JC2YZG56Q | null | REGFWZVTTFGQOJ-UHFFFAOYSA-N |
DB02336 | EXPT00328 | RU83876 | null | null | null | WCMLXBUNHNAMNH-UIOOFZCWSA-N |
DB02337 | EXPT00843 | S-(D-Carboxybutyl)-L-Homocysteine | null | null | null | BMONDXDFXRPNKQ-ZETCQYMHSA-N |
DB02338 | EXPT02321 | NADPH | 53-57-6 | 381Q4X082D | Dihydronicotinamide-adenine dinucleotide phosphate | Reduced nicotinamide adenine dinucleotide phosphate | TPNH | ACFIXJIJDZMPPO-NNYOXOHSSA-N |
DB02339 | EXPT02742 | Allyl-{6-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-Hexyl-}-Methyl-Amin | null | null | null | JYNZIOFUHBJABQ-UHFFFAOYSA-N |
DB02340 | EXPT02839 | N-Acetyl-Serine | 16354-58-8 | W98518XGZ3 | null | JJIHLJJYMXLCOY-BYPYZUCNSA-N |
DB02341 | EXPT02880 | Mdl 101,146 | 149859-17-6 | 749Y52DBP2 | null | XQAMVCHQGHAELT-YPAWHYETSA-N |
DB02342 | EXPT01362 | 2-Methoxyestradiol | 362-07-2 | 6I2QW73SR5 | 2-Hydroxyestradiol 2-methyl ether | 2-Hydroxyestradol 2-methyl ether | 2-ME2 | 2-methoxy-17β-estradiol | 2-Methoxyestradiol-17beta | 2ME2 | CQOQDQWUFQDJMK-SSTWWWIQSA-N |
DB02343 | EXPT02478 | 3,6,9,12,15-Pentaoxaheptadecane | 4353-28-0 | XO8API468S | null | HYDWALOBQJFOMS-UHFFFAOYSA-N |
DB02345 | EXPT01033 | Selenocysteine | 10236-58-5 | 0CH9049VIS | 3-selenyl-L-alanine | L-selenocysteine | Selenium cysteine | ZKZBPNGNEQAJSX-REOHCLBHSA-N |
DB02346 | EXPT00139 | 3'-O-N-Octanoyl-a-D-Glucopyranosyl-B-D-Fructofuranoside | null | null | null | NMVDZWILYFXVBZ-PQJCEUABSA-N |
DB02347 | EXPT00578 | 2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid | null | null | null | AGSOOCUNMTYPSE-ZETCQYMHSA-N |
DB02348 | EXPT01478 | Monofluorophosphate ion | 15181-43-8 | 4964UZ79MI | Fluoridophosphate | Fluorophosphate | Phosphorofluoridate | DWYMPOCYEZONEA-UHFFFAOYSA-L |
DB02349 | EXPT02346 | Nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline | null | null | null | RSVNLFPFYXGAGU-GIBQRGJUSA-O |
DB02350 | EXPT02193 | N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide | null | null | null | CYYCSKFJEOSZTF-CYBMUJFWSA-N |
DB02352 | EXPT00176 | 3-(Benzyloxy)Pyridin-2-Amine | null | IYW7T7718Z | null | NMCBWICNRJLKKM-UHFFFAOYSA-N |
DB02353 | EXPT01679 | Heparin Disaccharide Iii-S | null | null | null | GSYQGRODWXMUOO-GYBHJADLSA-K |
DB02354 | EXPT02739 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | null | null | null | IRKPNOLLMNHSOU-UHFFFAOYSA-N |
DB02355 | EXPT03009 | Adenosine-5'-Rp-Alpha-Thio-Triphosphate | null | null | null | ROYJKVPBJVNHCQ-AJBXOXQOSA-N |
DB02356 | EXPT01855 | 4-Imidazolmethylene-5-Imidazolone Chromophore | null | null | null | ZUHFMWFOPOTPRB-XVKPBYJWSA-N |
DB02357 | EXPT02145 | Methyl-O3-(Alpha-D-Mannose)-Alpha-D-Mannose | null | null | null | WOKXHOIRHHAHDA-ZEEOCKJESA-N |
DB02358 | EXPT01992 | LY374571 | null | null | null | SZHRIPFGZWWRKW-VIFPVBQESA-N |
DB02359 | EXPT02697 | 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine | null | null | null | PPFZLLAIQRZNJE-UHFFFAOYSA-N |
DB02360 | EXPT01984 | Bis-Napthyl Beta-Ketophosphonic Acid | null | null | null | OFHMUASCSJJNNA-JOCHJYFZSA-N |
DB02361 | EXPT02865 | S-Methyl Thiocysteine Group | null | null | null | PYFNLWPQPNXHCS-VKHMYHEASA-N |
DB02362 | EXPT02486 | Aminobenzoic acid | 150-13-0 | TL2TJE8QTX | 1-Amino-4-carboxybenzene | 4-aminobenzoic acid | 4-Carboxyaniline | Aminobenzoic acid | p-Aminobenzoic acid | p-Carboxyaniline | p-Carboxyphenylamine | para-Aminobenzoic acid | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
DB02363 | EXPT00588 | 2'-Monophosphoadenosine-5'-Diphosphate | null | null | null | YPTPYQSAVGGMFN-KQYNXXCUSA-N |
DB02364 | EXPT02876 | 2-Amino-3-(Diethoxy-Phosphoryloxy)-Propionic Acid | null | null | null | MOFCKRBDMJNCOC-LURJTMIESA-N |
DB02365 | EXPT02592 | 1,10-Phenanthroline | 66-71-7 | W4X6ZO7939 | O-Phenanthroline | DGEZNRSVGBDHLK-UHFFFAOYSA-N |
DB02366 | EXPT00299 | CRA_10762 | null | null | null | RPGVMAPDADAHPV-UHFFFAOYSA-N |
DB02367 | EXPT00010 | (1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine | null | null | null | ULDXUWXTVRRUND-SWLSCSKDSA-N |
DB02368 | EXPT02432 | N-Acetyl-L-Citrulline | null | null | null | WMQMIOYQXNRROC-LURJTMIESA-N |
DB02369 | EXPT00160 | 3-Aza-2,3-Dihydrogeranyl Diphosphate | null | null | null | UWHNDWYDKGVRGE-UHFFFAOYSA-K |
DB02370 | EXPT02135 | Nz-(1-Carboxyethyl)-Lysine | null | null | null | XCYPSOHOIAZISD-RQJHMYQMSA-N |
DB02371 | EXPT02328 | 2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid | 7365-44-8 | L173DK6289 | null | JOCBASBOOFNAJA-UHFFFAOYSA-N |
DB02372 | EXPT03272 | 2,5-Dimethylpyrimidin-4-Amine | null | J1SE9T8ANX | null | UXKNAXNFIYFMIB-UHFFFAOYSA-N |
DB02373 | EXPT00516 | Adenosine monotungstate | null | null | null | FJSJQPRHXPUMLC-LRDMJOKZSA-L |
DB02374 | EXPT03259 | Xylose-Derived Imidazole | null | null | null | QMHSBFMMOLGPGR-NGJCXOISSA-N |
DB02375 | EXPT02265 | Myricetin | 529-44-2 | 76XC01FTOJ | 3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one | 3,3',4',5,5',7-Hexahydroxyflavone | 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one | 3,5,7,3',4',5'-Hexahydroxyflavone | Cannabiscetin | MYC | Myricetin | Myricetol | Myricitin | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
DB02376 | EXPT01630 | D-gluconhydroximo-1,5-lactam | null | null | null | VBXHGXTYZGYTQG-SQOUGZDYSA-N |
DB02377 | EXPT01672 | Guanine | 73-40-5 | 5Z93L87A1R | null | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
DB02378 | EXPT02196 | MMI-175 | null | null | null | QJAPFAZHNSZLJE-CWURXVSKSA-N |
DB02379 | EXPT00685 | EXPT00455 | EXPT01603 | Beta-D-Glucose | 492-61-5 | J4R00M814D | beta-D-glucopyranose | Beta-D-glucose anhydrous | Beta-D-glucose, anhydrous | Glucoside | β-D-glucose | WQZGKKKJIJFFOK-VFUOTHLCSA-N |
DB02380 | EXPT00134 | Deoxyinosine | 890-38-0 | HN0RQ6SBWQ | 2'-deoxyinosine | 9-(2-deoxy-β-D-erythro-pentofuranosyl)-9H-purin-6-ol | Deoxyinosine | VGONTNSXDCQUGY-RRKCRQDMSA-N |
DB02381 | EXPT02371 | DB12913 | nor-NOHA | 189302-40-7 | U0F1149OFR | (2S)-2-amino-4-(((hydroxyamino)iminomethyl)amino)butanoic acid | N-hydroxy-nor-arginine | N-hydroxy-nor-L-arginine | Nomega-Hydroxy-nor-L-arginine | KOBHCUDVWOTEKO-VKHMYHEASA-N |
DB02382 | EXPT02312 | Namn | null | null | null | JOUIQRNQJGXQDC-ZYUZMQFOSA-N |
DB02383 | EXPT03082 | Tolrestat | 82964-04-3 | 0T93LG5NMK | Tolrestat | LUBHDINQXIHVLS-UHFFFAOYSA-N |
DB02384 | EXPT01432 | (E)-2-Fluoro-P-Hydroxycinnamate | null | null | null | SBIZDOWXYPNTOJ-VMPITWQZSA-M |
DB02385 | EXPT02326 | D-threo-neopterin | 10162-32-0 | 26C7CRZ5LJ | D-monapterin | D-threo-monapterin | Monapterin | Neopterin D-threo-form | BMQYVXCPAOLZOK-INEUFUBQSA-N |
DB02386 | EXPT02610 | Leucine Phosphonic Acid | null | null | null | HGCAUCAWEADMPM-RXMQYKEDSA-N |
DB02388 | EXPT00330 | Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | null | null | null | UQFRSHRWRKYNDE-UHFFFAOYSA-N |
DB02390 | EXPT01117 | 5-Bromo-N[2-(Dimethylamino)Ethyl]-9-Aminoacridine-4-Carboxamide | null | null | null | NROQPXQSDDINMC-UHFFFAOYSA-P |
DB02391 | EXPT01667 | 2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One | null | null | null | XYCDSKWPYZSIDU-UHFFFAOYSA-N |
DB02393 | EXPT01415 | D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate | null | null | null | YBOWGOLYQKBCFB-JGWLITMVSA-N |
DB02394 | EXPT02443 | Oxiranpseudoglucose | null | null | null | BDIDRHMZXLEMIZ-CXNFULCWSA-N |
DB02395 | EXPT01312 | 3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol | null | null | null | JCCDRCRHGKFTQS-UHFFFAOYSA-N |
DB02396 | EXPT01370 | Methylethylamine | 624-78-2 | AE3IIW7JBO | null | LIWAQLJGPBVORC-UHFFFAOYSA-N |
DB02397 | EXPT03081 | O-(N-acetyl-alpha-D-galactosaminyl)-L-serine | 67262-86-6 | null | Tn Antigen | α-D-GalNAc-Ser | REDMNGDGDYFZRE-WKWISIMFSA-N |
DB02398 | EXPT00091 | 6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine | null | null | null | NLBDETRVUYOIHQ-UHFFFAOYSA-N |
DB02399 | EXPT02796 | L-Rhamnitol | 488-28-8 | IHI9UGC58P | (2S,3S,4S,5S)-hexane-1,2,3,4,5-pentol | 1-deoxy-L-mannitol | 6-deoxy-L-mannitol | SKCKOFZKJLZSFA-BXKVDMCESA-N |
DB02400 | EXPT00341 | ES-936 | 192820-78-3 | 1XI90I177M | null | IBLWSLZYYZHSRG-UHFFFAOYSA-N |
DB02401 | EXPT02463 | 4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid | 66313-36-8 | null | null | IBRWUZLLHSXPKL-UHFFFAOYSA-N |
DB02402 | EXPT02228 | 5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine | null | null | null | CPZJZAIZIMCJRC-UHFFFAOYSA-N |
DB02403 | EXPT00067 | 2-Fluoroaniline | 348-54-9 | SE32ZK6617 | null | FTZQXOJYPFINKJ-UHFFFAOYSA-N |
DB02404 | EXPT02540 | 1-Deoxy-1-Thio-Heptaethylene Glycol | null | null | null | ACMBXVJDKVNCGH-UHFFFAOYSA-N |
DB02405 | EXPT00749 | 12-Bromododecanoic Acid | 73367-80-3 | RP072ZQ00E | null | YYKBWYBUCFHYPR-UHFFFAOYSA-N |
DB02406 | EXPT02547 | DB04344 | N-Valeric Acid | 109-52-4 | GZK92PJM7B | null | NQPDZGIKBAWPEJ-UHFFFAOYSA-N |
DB02407 | EXPT00955 | 6-O-Cyclohexylmethyl Guanine | null | 884MN6AR44 | null | MWGXGTJJAOZBNW-UHFFFAOYSA-N |
DB02408 | EXPT02083 | (3s)-3-Amino-1-(Cyclopropylamino)Heptane-2,2-Diol | null | null | null | AYBDGNNJGBFOBQ-VIFPVBQESA-N |
DB02409 | EXPT00106 | (1r,4s)-2-Azabornane | null | null | null | OLTRGBMOWPXXIG-VXNVDRBHSA-N |
DB02410 | EXPT01790 | 2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide | null | null | null | GYRGKLZCJRVYRV-UHFFFAOYSA-O |
DB02411 | EXPT01696 | 2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2 | null | null | null | HOUHLOFMBSYNBO-KKUQBAQOSA-N |
DB02412 | EXPT02719 | Tetrahydropyran | 142-68-7 | V06I3ILG6B | null | DHXVGJBLRPWPCS-UHFFFAOYSA-N |
DB02413 | EXPT02417 | Hydroxyethylcysteine | null | null | null | MWFRVMDVLYIXJF-BYPYZUCNSA-N |
DB02414 | EXPT00911 | Cyclo(his-pro) | 53109-32-3 | Q10817UXVT | (3S,8aS)-3-(1H-Imidazol-4-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | cyclo(histidyl-prolyl) | cyclo(L-His-L-Pro) | Histidyl-proline diketopiperazine | Histidyl-proline-diketopiperazine | NAKUGCPAQTUSBE-IUCAKERBSA-N |
DB02415 | EXPT02420 | N-Octyl-2-Hydroxyethyl Sulfoxide | null | null | null | IRJUEMKMQDEOTQ-CYBMUJFWSA-N |
DB02416 | EXPT02813 | 2-Ribofuranosyl-3-Iodo-2,3-Dihydro-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine | null | null | null | IPMOTTQXPAXTMS-CKVFBBIQSA-N |
DB02417 | EXPT03018 | 2,4,6-Tribromophenol | 118-79-6 | YS6K3EU393 | null | BSWWXRFVMJHFBN-UHFFFAOYSA-N |
DB02418 | EXPT00773 | (R,R)-2,3-Butanediol | 24347-58-8 | F5IA8X9O8M | null | OWBTYPJTUOEWEK-ZXZARUISSA-N |
DB02419 | EXPT01313 | Ethyl Oxo(Piperidin-1-Yl)Acetate | 53074-96-7 | D7IIF4X1TU | null | ASBDXHCMVYVJQQ-UHFFFAOYSA-N |
DB02420 | EXPT02051 | [[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid, | null | null | null | RKILOCCSAVHHJT-UHFFFAOYSA-N |
DB02421 | EXPT03175 | Uridine-5'-diphosphate-mannose | null | null | null | HSCJRCZFDFQWRP-NYYOCOOHSA-N |
DB02422 | EXPT02920 | Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside | null | null | null | WAYOKHSZGNFKSX-ZEEOCKJESA-N |
DB02423 | EXPT02603 | Thiopyrophosphate | 68488-87-9 | null | Trihydrogen thiodiphosphate | HWTUHTNZLQJJEV-UHFFFAOYSA-M |
DB02424 | EXPT01571 | Geldanamycin | 30562-34-6 | Z3K3VJ16KU | null | QTQAWLPCGQOSGP-KSRBKZBZSA-N |
DB02425 | EXPT00974 | Hexadecyl Octanoate | 29710-31-4 | 418Q5V6PLJ | Caprylic acid, cetyl ester | Cetyl caprylate | Cetyl octanoate | Hexadecyl caprylate | Hexadecyl N-octanoate | IKYYXKWKFNBGJA-UHFFFAOYSA-N |
DB02426 | EXPT01071 | Carboxyatractyloside | 33286-30-5 | PH9ATM6F5U | null | CYBVQIBJEFQVPD-GWDNDVLHSA-N |
DB02427 | EXPT00983 | 2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline | null | null | null | YBJANOUTWRTBDK-UHFFFAOYSA-N |
DB02428 | EXPT02730 | DB08452 | Quinaldic Acid | 93-10-7 | P90NWT719R | null | LOAUVZALPPNFOQ-UHFFFAOYSA-N |
DB02429 | EXPT01895 | 4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide | null | null | null | IXDVPACDZDRCTN-UHFFFAOYSA-N |
DB02430 | EXPT02998 | Trehalose-6-Phosphate | 4484-88-2 | null | null | LABSPYBHMPDTEL-LIZSDCNHSA-N |
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