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
DB02757
EXPT02727
Pyrazole
288-13-1
3QD5KJZ7ZJ
1,2-Diazole | 1H-Pyrazol | 1H-pyrazole
WTKZEGDFNFYCGP-UHFFFAOYSA-N
DB02758
EXPT01908
Indolepropionic acid
830-96-6
JF49U1Q7KN
1H-Indole-3-propionic acid | 3-(3-Indole)propionic acid | 3-(3-Indolyl)propanoic acid | 3-(3-Indolyl)propionic acid | 3-(Indol-3-yl)propionic acid | 3-indolepropionic acid | beta-Indolylpropionate | Indole-3-propionic acid | Indolylpropionic acid
GOLXRNDWAUTYKT-UHFFFAOYSA-N
DB02759
EXPT01671
4-methyl-umbelliferyl-N-acetyl-chitobiose
53643-12-2
SYW68VG2T6
4-methylumbelliferyl-N,N-diacetylchitobioside | 4-Mudacb
UPSFMJHZUCSEHU-JYGUBCOQSA-N
DB02760
EXPT01379
1,6-Di-O-Phosphono-D-Allitol
null
null
null
WOYYTQHMNDWRCW-FBXFSONDSA-N
DB02761
EXPT01038
S-Mercaptocysteine
5652-32-4
3RZ74WA9J2
null
XBKONSCREBSMCS-REOHCLBHSA-N
DB02762
EXPT00300
RU79072
null
null
null
NQLPTOOPFMPCHQ-UHFFFAOYSA-N
DB02763
EXPT02201
5-Mercapto-2-Nitro-Benzoic Acid
15139-21-6
OWT399B07G
null
GANZODCWZFAEGN-UHFFFAOYSA-N
DB02765
EXPT00559
R-9-(2-hydroxypropyl)adenine
14047-28-0
43H6SBP55W
9-Hydroxypropyladenine, R-Isomer
MJZYTEBKXLVLMY-RXMQYKEDSA-N
DB02766
EXPT03288
(3R)-3-{[(Benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
null
null
null
VLIGBVLLNSWVMI-MRXNPFEDSA-O
DB02767
EXPT01506
(R)-3-hydroxytetradecanoic acid
28715-21-1
R7C245Y68X
(−)-3-hydroxymyristic acid | (3R)-hydroxymyristic acid | (R)-(-)-3-Hydroxytetradecanoic acid | (R)-(−)-3-hydroxytetradecanoic acid | (R)-3-Hydroxymyristic acid | (R)-3-Hydroxytetradecanoic acid | D-(-)-beta-Hydroxymyristic acid | D-(−)-β-hydroxymyristic acid | β-hydroxymyristic acid | β-hydroxytetradecanoic acid
ATRNZOYKSNPPBF-CYBMUJFWSA-N
DB02768
EXPT00736
Tert-Butyloxycarbonyl Group
null
J5BC8DA85J
null
RUPAXCPQAAOIPB-UHFFFAOYSA-N
DB02770
EXPT00315
7-alpha-D-Ribofuranosyl-2-aminopurine-5'-phosphate
null
null
null
UDRQVOJQMHZSIM-PULFBKJNSA-N
DB02772
EXPT02977
Sucrose
57-50-1
C151H8M554
1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside | Beet sugar | Cane sugar | Sacarosa | Saccharose | Sacharose | Sucraloxum | Sucrose | Table sugar | White sugar
CZMRCDWAGMRECN-UGDNZRGBSA-N
DB02773
EXPT00156
(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid
null
null
null
QEJHPAGTOOIBFT-UHFFFAOYSA-N
DB02774
EXPT02534
1,3-Propanediol
504-63-2
5965N8W85T
1,3-Dihydroxypropane | 1,3-propylene glycol | 2-(hydroxymethyl)ethanol | beta-Propylene glycol | Propane-1,3-diol | Trimethylene glycol | β-propylene glycol
YPFDHNVEDLHUCE-UHFFFAOYSA-N
DB02776
EXPT01716
1-Hexadecanosulfonic Acid
15015-81-3
84694Z0M9P
null
SSILHZFTFWOUJR-UHFFFAOYSA-N
DB02777
EXPT02605
Diundecyl Phosphatidyl Choline
null
null
null
IJFVSSZAOYLHEE-SSEXGKCCSA-O
DB02778
EXPT00466
2,5-Anhydroglucitol-1,6-Biphosphate
null
null
null
WSMBXSQDFPTODV-JGWLITMVSA-N
DB02779
EXPT00833
Dodecyltrimethylammonium
10182-91-9
GT3793XV5S
Dodecane-trimethylamine | Dodecyl-trimethyl-azanium | Dodecyltrimethylammonium ion | laurtrimonium | laurtrimonium cation | laurtrimonium ion | n-Dodecyltrimethylammonium | N,N,N-Trimethyl-1-dodecanaminium
VICYBMUVWHJEFT-UHFFFAOYSA-N
DB02780
EXPT00644
Beta-3-Cysteine
null
null
null
UGPZHAXXEJECMI-GSVOUGTGSA-N
DB02781
EXPT01022
4-{(Z)-[2-[3-(Methylsulfanyl)Propanoyl]-5-Oxo-1-(2-Oxoethyl)-1,5-Dihydro-4h-Imidazol-4-Ylidene]Methyl}Benzenolate
null
null
null
POPNGBKQPJVYFV-JLHYYAGUSA-M
DB02783
EXPT01857
4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate
null
TJZ8V4IIP7
null
QYKRUCBLHROXCK-UHFFFAOYSA-N
DB02784
EXPT01429
N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide
null
null
2-[4-[2-[[(2S)-2-[3-[(2-bromoacetyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]ethyl]anilino]-2-oxoacetic acid | N-(Bromoacetyl)-β-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide
IYAWTDCWUJJPHZ-ZDUSSCGKSA-N
DB02785
EXPT00175
(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-4-{[6-chloro-5-(4-methyl-1-piperazinyl)-2-pyrazinyl]carbonyl}-N-(2-methyl-2-propanyl)-2-piperazineca rboxamide
null
null
null
SQZXWXXIPWXBCL-CYTJBAGBSA-N
DB02786
EXPT01387
2-Anhydro-3-Fluoro-Quinic Acid
null
null
null
DGZQZSSRYAJDAX-XAHCXIQSSA-N
DB02787
EXPT02197
N-Acetylmannosaminitol
null
null
null
OUBSZQOZVSSBQR-SLBCVNJHSA-N
DB02788
EXPT01702
(S)-acetoin
null
null
(S)-2-acetoin
ROWKJAVDOGWPAT-VKHMYHEASA-N
DB02789
EXPT02608
Pregnenolone
145-13-1
73R90F7MQ8
Pregnenolone
ORNBQBCIOKFOEO-QGVNFLHTSA-N
DB02790
EXPT03199
Phenyl-uridine-5'-diphosphate
null
null
null
ZHUWBKDWWGKIEN-FMKGYKFTSA-N
DB02792
EXPT01122
Deglucobalhimycin
null
null
null
ABWSMPORYONAHZ-LTAUCOGHSA-N
DB02793
EXPT01933
Isochorismic Acid
22642-82-6
null
null
NTGWPRCCOQCMGE-YUMQZZPRSA-L
DB02794
EXPT00025
(2S)-2-({4-[(2S)-1-(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)-3-{[2-({(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}amino)-2-oxoethyl]amino}-2-hydroxy-2-propanyl]benzoyl}ami no)pentanedioic acid
null
null
null
QZUCAWXKEZPFBV-PRICPSHJSA-N
DB02795
EXPT00523
P-Anisic Acid
100-09-4
4SB6Y7DMM3
null
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
DB02796
EXPT00357
9-deazainosine
89458-19-5
null
null
WKDMPDYUJKSXBW-KBHCAIDQSA-N
DB02797
EXPT02380
3-Nitrophenylboronic Acid
13331-27-6
JLC765W4PN
null
ZNRGSYUVFVNSAW-UHFFFAOYSA-N
DB02798
EXPT00399
Alpha-Methylene Adenosine Monophosphate
null
null
null
PXSSQXBLDTZHLF-IOSLPCCCSA-N
DB02799
EXPT02140
N-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide
null
null
null
OJBZDUMTXGGVSP-KTKRTIGZSA-N
DB02800
EXPT03049
5-hydroxymethyl-5,6-dihydrofolic acid
null
null
null
IIEPLRAFVCMHQF-STQMWFEESA-N
DB02801
EXPT01385
2,3-Anhydro-quinic acid
227002-11-1
null
null
VTEDVYGIJPLVFF-XAHCXIQSSA-N
DB02802
EXPT01462
3-(alpha-D-Galactopyranosyloxy)-5-nitrobenzamide
null
null
3-(α-D-Galactopyranosyloxy)-5-nitrobenzamide | 5-aminocarbonyl-3-nitrophenyl-alpha-D-galactopyranose
BYSXBFJVGIOFBO-LNSPPBFMSA-N
DB02803
EXPT02644
3-Phenyl-1,2-Propandiol
null
6PQ7U3G5W6
null
JHWQMXKQJVAWKI-VIFPVBQESA-N
DB02804
EXPT00377
A-98881
null
null
null
PMBZSBGCSQGJAQ-GRKNLSHJSA-N
DB02805
EXPT03163
Arabinouridine 3'-phosphate
null
null
1-(3-O-phosphono-beta-L-arabinofuranosyl)Pyrimidine-2,4(1H,3H)-Dione | Arabinouridine 3'-Phosphate | Uracil arabinose-3'-phosphate
FOGRQMPFHUHIGU-PXBUCIJWSA-N
DB02806
EXPT02260
2-Methoxyethanol
109-86-4
EK1L6XWI56
null
XNWFRZJHXBZDAG-UHFFFAOYSA-N
DB02807
EXPT02819
3-deoxy-D-lyxo-hexonic acid
null
null
D-2-keto-3-deoxygalactonate
YGMNHEPVTNXLLS-MROZADKFSA-N
DB02808
EXPT01427
Trifluorofurnesyl Diphosphate
null
null
null
PXLMLAFPAPGGKK-GVCYOOEQSA-N
DB02809
EXPT00651
Brodimoprim-4,6-Dicarboxylate
null
null
null
SZAVCZNFKJSWRN-LBPRGKRZSA-M
DB02810
EXPT02170
N-(2-Acetamido)Iminodiacetic Acid
26239-55-4
5C4R3O704E
null
QZTKDVCDBIDYMD-UHFFFAOYSA-N
DB02811
EXPT01161
Diethyl phosphonate
762-04-9
U9X9YBA22W
Diethyl acid phosphite | Diethyl hydrogen phosphite | Diethyl phosphite | Hydrogen diethyl phosphite | O,O-Diethyl phosphonate | Phosphonic acid diethyl ester | Phosphorous acid, diethyl ester
MJUJXFBTEFXVKU-UHFFFAOYSA-N
DB02812
EXPT00391
RWJ-56423
null
null
(2S,4R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
VXDAVYUFYPFGDX-SNPRPXQTSA-N
DB02813
EXPT01570
2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone
19026-22-3
09ICI1V6AX
null
NELQYZRSPDCGRQ-DBRKOABJSA-N
DB02814
EXPT02276
3'-Deazo-Thiamin Diphosphate
null
null
null
NWZZJKMZTWGIFE-UHFFFAOYSA-N
DB02816
EXPT01416
7-(1-Methyl-1,2,3-Triazol-4-Yl)-6-Formyl-2,7-Dihydro-[1,4]Thiazepine-3-Carboxylic Acid, Brl42715, C6-(N1-Methyl-1,2,3-Triazolylmethylene)Penem
null
null
null
BCPHJDLBOJMWOD-VIFPVBQESA-N
DB02817
EXPT00826
5-Exo-Hydroxycamphor
null
null
null
DJQYBVLXBVJHMU-PJKMHFRUSA-N
DB02818
EXPT01948
Iodo-Willardiine
null
null
null
AXXYLTBQIQBTES-BYPYZUCNSA-N
DB02819
EXPT02793
Mono-[3,4-Dihydroxy-5-(5-Methyl-Benzoimidazol-1-Yl)-Tetrahydor-Furan-2-Ylmethyl] Ester
null
null
null
HGUDFQQPANTQEU-LPWJVIDDSA-N
DB02820
EXPT03033
1-Azepan-1-Yl-2-Phenyl-2-(4-Thioxo-1,4-Dihydro-Pyrazolo[3,4-D]Pyrimidin-5-Yl)Ethanone Adduct
null
null
null
null
DB02821
EXPT00828
Canaline
496-93-5
T7H2XP1ZNS
null
FQPGMQABJNQLLF-VKHMYHEASA-N
DB02822
EXPT00748
Para-Bromobenzyl Alcohol
873-75-6
null
null
VEDDBHYQWFOITD-UHFFFAOYSA-N
DB02823
EXPT02488
Phosphonoacetic Acid
4408-78-0
N919E46723
null
XUYJLQHKOGNDPB-UHFFFAOYSA-N
DB02824
EXPT02606
N-Pyridoxyl-Glycine-5-Monophosphate
null
null
null
FEVQWBMNLWUBTF-UHFFFAOYSA-N
DB02825
EXPT03237
Methylphosphinate
null
null
null
BCDIWLCKOCHCIH-UHFFFAOYSA-M
DB02827
EXPT01119
7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid
null
null
null
MDYIGSPVMWSFEZ-JTQLQIEISA-N
DB02828
EXPT01997
5-Fluorolevulinic Acid
76385-49-4
U7AG97N7XY
null
MBVLGMJBSFUHKW-UHFFFAOYSA-N
DB02829
EXPT02963
4-(Acetylamino)-3-[(Aminoacetyl)Amino]Benzoic Acid
null
null
null
FJGXEWVOOHZQDN-UHFFFAOYSA-O
DB02830
EXPT01487
FR236913
null
null
null
KCCUBLLGAMGDJL-HXUWFJFHSA-N
DB02831
EXPT00124
Dihydrogenphosphate
29505-79-1
null
Dihydrogenphosphate ion
NBIIXXVUZAFLBC-UHFFFAOYSA-M
DB02832
EXPT02954
Siroheme
52553-42-1
null
null
PGYXHNRRBJLFEV-NBUGCWMUSA-N
DB02833
EXPT00930
[4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine
null
2L9NBR9W3T
null
DYTKVFHLKPDNRW-UHFFFAOYSA-N
DB02834
EXPT01836
IDD552
null
null
null
ZCAGEXZTORJQDZ-UHFFFAOYSA-N
DB02835
EXPT01519
Alpha-D-Glucose 1,6-Bisphosphate
10139-18-1
DRX17R6AM2
null
RWHOZGRAXYWRNX-VFUOTHLCSA-N
DB02836
EXPT01643
Guanosine 5'-diphosphate 2':3'-cyclic monophosphate
null
null
null
NGYWTCOGOZELRS-UUOKFMHZSA-N
DB02837
EXPT01646 | DB03377
4-(Hydrogen sulfate)-beta-D-galactopyranose
30591-62-9
5G2WS8D321
4-(Hydrogen sulfate)-beta-D-galactopyranose | 4-O-Sulfo-β-D-galactopyranose
LOTQRUGOUKUSEY-DGPNFKTASA-N
DB02838
EXPT00141
3,4-Dihydro-2h-Pyrrolium-5-Carboxylate
null
497H5RPL8F
null
RHTAIKJZSXNELN-UHFFFAOYSA-N
DB02839
EXPT01241
2,4-Dihydroxybenzoic Acid
89-86-1
LU39SC9JYL
null
UIAFKZKHHVMJGS-UHFFFAOYSA-N
DB02840
EXPT00204
4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid
null
null
null
LCTWZJKHOGKNMX-UHFFFAOYSA-N
DB02841
EXPT02299
[(2-Ethoxy-1-Naphthoyl)Amino]Methylboronic Acid
null
null
null
VGXJNGVFESCMME-UHFFFAOYSA-N
DB02842
EXPT00308
9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide
null
0LY4HYL6F8
9-amino-N-(3-dimethylaminopropyl)acridine-4-carboxamide
VNWAULKXOPRJEL-UHFFFAOYSA-N
DB02843
EXPT01520
alpha-D-glucose-1-phosphate
59-56-3
CIX3U01VAU
glucose-1-phosphate
HXXFSFRBOHSIMQ-VFUOTHLCSA-N
DB02844
EXPT00386
S-Adenosyl-1,8-Diamino-3-Thiooctane
76426-40-9
null
null
SUUGLGYBZXSJAA-SCFUHWHPSA-N
DB02845
EXPT02226 | DB04390
Methylphosphinic Acid
4206-94-4
null
null
BCDIWLCKOCHCIH-UHFFFAOYSA-N
DB02846
EXPT02664
L-thioproline
2756-91-4
KL096K0KXL
(4R)-4-Thiazolidinecarboxylic acid | (R)-(-)-4-Thiazolidinecarboxylic acid | (R)-4-Thiazolidinecarboxylic acid | 4-thiaproline | L-thiaproline | L-Thiazolidine-4-carboxylic acid | Thiazolidinecarboxylic acid | γ-thioproline
DZLNHFMRPBPULJ-VKHMYHEASA-N
DB02847
EXPT03122
(2s,3r)-1-Amino-2-Methylbutane-2,3-Diol
null
null
null
CNLUNMTZBAHKFI-UHNVWZDZSA-N
DB02848
EXPT02557
{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol
null
null
null
ZJESXGUODSBHSK-UHFFFAOYSA-N
DB02849
EXPT00257
N-Pyridoxyl-1-Amino-Cyclopropanecarboxylic Acid-5-Monophosphate
null
null
null
ZMHRUAWWUAOOQN-UHFFFAOYSA-N
DB02850
EXPT00327
DAS869
null
null
null
AVFXBZIGDFPGBY-UHFFFAOYSA-N
DB02851
EXPT03025
Thiocamphor
7519-74-6
7WA22E7HFY
null
AAADKYXUTOBAGS-XCBNKYQSSA-N
DB02852
EXPT01248
Domoic Acid
14277-97-5
M02525818H
(-)-domoic acid | L-domoic acid
VZFRNCSOCOPNDB-AOKDLOFSSA-N
DB02853
EXPT01259
D-Proline
344-25-2
L01Q4LGZ5L
(2R)-pyrrolidine-2-carboxylic acid | (R)-2-Carboxypyrrolidine | (R)-pyrrolidine-2-carboxylic acid | D-Prolin | DPR
ONIBWKKTOPOVIA-SCSAIBSYSA-N
DB02854
EXPT00443
Aetiocholanolone
53-42-9
97CGB1M48I
null
QGXBDMJGAMFCBF-BNSUEQOYSA-N
DB02855
EXPT00003
N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline
134448-10-5
null
N-(3-Propylcarbamoyloxirane-2-carbonyl)-isoleucyl-proline
UDNIFTKCMDIXFC-ABHRYQDASA-N
DB02856
EXPT01337
Ethyl N-methylcarbamate
105-40-8
1W34GCF5CS
Ethyl methylcarbamate | Ethyl N-methylcarbamate | Ethyl-N-methylcarbamate | N-Methyl urethan | N-Methylurethan | N-Methylurethane
SURZCVYFPAXNGN-UHFFFAOYSA-N
DB02857
EXPT01622
Guanosine
118-00-3
12133JR80S
2-amino-1,9-dihydro-9-β-D-ribofuranosyl-6H-purin-6-one | 2(3H)-imino-9-β-D-ribofuranosyl-9H-purin-6(1H)-one | 9-β-D-ribofuranosyl-guanine | Guanine riboside | Guanine-9-β-D-ribofuranoside | Guanosin | Guanosina | Guo
NYHBQMYGNKIUIF-UUOKFMHZSA-N
DB02858
EXPT01371
3-(4-Benzenesulfonyl-Thiophene-2-Sulfonylamino)-Phenylboronic Acid
null
null
null
YZOKHYPIQNIFRQ-UHFFFAOYSA-N
DB02859
EXPT02829
Soraphen A
122547-72-2
null
null
WPMGNXPRKGXGBO-OFQQMTDKSA-N
DB02860
EXPT01080
Calyculin A
101932-71-2
7D07U14TK3
(-)-calyculin A
FKAWLXNLHHIHLA-YCBIHMBMSA-N
DB02861
EXPT01904
4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide
null
null
null
DEHMSTGBNAXEGX-UHFFFAOYSA-N
DB02862
EXPT01838
Gluco-Phenylimidazole
null
null
null
DLVNFMROYKHANV-FVCCEPFGSA-N
DB02864
EXPT00720
Biliverdin Ix Gamma Chromophore
null
null
null
ISQGGWQAVOHBFX-BGSBWKAWSA-N
DB02865
EXPT01634
Glucosamine 4-Phosphate
null
null
null
QWDBGVNDGYUIAC-QZABAPFNSA-N