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
DB03502
EXPT01789
(4s)-4-{[(2s)-2-Amino-3-Oxopropyl]Sulfanyl}-L-Homoserinate
null
null
null
ZGWOKDWPXPPFGS-VAYJURFESA-N
DB03503
EXPT01521
4-Acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
null
null
null
QPJWMZVTNXFTKV-JMJZKYOTSA-N
DB03504
EXPT02698
9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine
null
null
null
IVPCTHKPOPQMSX-UHFFFAOYSA-N
DB03505
EXPT01267
2,6-diaminoquinazolin-4-ol
53745-23-6
null
null
YCRCNZBZUQLULA-UHFFFAOYSA-N
DB03506
EXPT00355
5H-pyrrolo[3,2-d]pyrimidin-4-amine
2227-98-7
null
5H-Pyrrolo[3,2-d]pyrimidin-4-amine | 9-deazaadenine
YRVFQPBPZCRUDX-UHFFFAOYSA-N
DB03507
EXPT00294
6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One
null
null
null
UXGUZFZBZPPZGL-UHFFFAOYSA-N
DB03508
EXPT02148
Diethylene glycol ethyl methyl ether
1002-67-1
LF64ICW5Y3
1-ethoxy-2-(2-methoxyethoxy)ethane
CNJRPYFBORAQAU-UHFFFAOYSA-N
DB03509
EXPT00973
2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
null
EK3YT5P3LA
null
FLYGLPYJEQPCFY-UHFFFAOYSA-N
DB03510
EXPT01873
6-O-Phosphoryl Inosine Monophosphate
null
null
null
RXRZOKQPANIEDW-KQYNXXCUSA-N
DB03511
EXPT01661 | DB03334
alpha-D-galacturonic acid
6294-16-2
CEP8I6411H
alpha-D-galactopyranuronic acid | α-D-galactopyranuronic acid | α-D-galacturonic acid
AEMOLEFTQBMNLQ-BKBMJHBISA-N
DB03512
EXPT03211
Uridine-2',3'-vanadate
null
null
null
JSPAHXDHRUTBDP-VKTKOMAXSA-L
DB03513
EXPT00151
(S)-2-Amino-3-(4h-Selenolo[3,2-B]-Pyrrol-6-Yl)-Propionic Acid
null
null
null
RKIAGDNYTCWCNV-LURJTMIESA-N
DB03514
EXPT01375
4-Vinylguaiacol
7786-61-0
DA069CTH0O
2-(4-hydroxy-3-methoxyphenyl)ethene | 2-methoxy-4-vinylphenol | 2M4VP | 4-ethenyl-2-methoxyphenol | 4-hydroxy-3-methoxyphenylethene | 4-hydroxy-3-methoxystyrene | 4-hydroxy-3-methoxyvinylbenzene | 4-vinyl-2-methoxyphenol | 4-vinylguaiacol | o-methoxy-p-vinylphenol | p-vinylguaiacol | para-vinylguaiacol
YOMSJEATGXXYPX-UHFFFAOYSA-N
DB03515
EXPT01356
Equilenin
517-09-9
W8FTJ17C4J
3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one | Equilenina
PDRGHUMCVRDZLQ-WMZOPIPTSA-N
DB03516
EXPT03299
Eniluracil
59989-18-3
2E2W0W5XIU
5-Ethynyluracil | Eniluracil
JOZGNYDSEBIJDH-UHFFFAOYSA-N
DB03517
EXPT02243
[Methylthio]Acetate
null
null
null
HGTBAIVLETUVCG-UHFFFAOYSA-M
DB03518
EXPT02156
Mevalonic acid
150-97-0
S5UOB36OCZ
(R)-3,5-dihydroxy-3-methylvaleric acid | (R)-mevalonate | (R)-mevalonic acid | 3,5-Dihydroxy-3-methylvaleric acid
KJTLQQUUPVSXIM-ZCFIWIBFSA-N
DB03520
EXPT00896
6-Chloro-2-fluoropurine
1651-29-2
726CLW3V39
null
UNRIYCIDCQDGQE-UHFFFAOYSA-N
DB03522
EXPT00567
Aspartic Acid-4-Carboxymethyl Ester
null
null
null
VYJCBTPDYBSANG-VKHMYHEASA-N
DB03523
EXPT00752
Brequinar
96187-53-0
5XL19F49H6
Brequinar
PHEZJEYUWHETKO-UHFFFAOYSA-N
DB03524
EXPT01953
N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-[(2-thiophen-2-ylacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
null
null
null
ZIXIINLBMSXOQV-ADWZMSLQSA-N
DB03525
EXPT00304
RU79073
null
null
null
NSJSAHCLJYVEDM-UHFFFAOYSA-N
DB03526
EXPT00493
AL5927
null
null
null
LRRAIRJIZOLGPR-UHFFFAOYSA-N
DB03528
EXPT03264
9-Beta-D-Xylofuranosyl-Adenine
null
null
null
OIRDTQYFTABQOQ-GAWUUDPSSA-N
DB03530
EXPT00836
Acylated ceftazidime
null
null
null
VEHPZKIFULQYFS-BZXVCXBKSA-N
DB03531
EXPT01389
Flavin-adenine dinucleotide-N5-isobutyl ketone
null
null
null
NQOFHJRBABCNHU-UYOVOMPXSA-N
DB03532
EXPT01527
Phosphomethylphosphonic acid guanylate ester
null
null
null
GXTIEXDFEKYVGY-KQYNXXCUSA-N
DB03533
EXPT01607
Acetyleneurea
496-46-8
U9H2W4OS13
cis-glycoluril | Glycoluril | Glyoxaldiureine | Glyoxaldiurene
VPVSTMAPERLKKM-XIXRPRMCSA-N
DB03534
EXPT03283
3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide
null
null
null
AWTBJNJPBKTHEV-UHFFFAOYSA-N
DB03535
EXPT03293
Z-Pro-Prolinal
null
4YM8D0GKX6
null
ORZXYSPOAVJYRU-HOTGVXAUSA-N
DB03536
EXPT03294
Benzyl N-[(2S)-5-(diaminomethylamino)-1-[[(2S)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
null
null
Benzoyl-arginine-alanine-methyl ketone
FAAPWXRBXXSQNJ-JSGCOSHPSA-N
DB03537
EXPT01042
[4-(4-Hydroxy-Benzyl)-2-(2-Hydroxy-1-Methyl-Ethyl)-5-Oxo-Imidazolidin-1-Yl]-Acetic Acid
null
null
null
XSUILVORURXWDH-QIMWGGGBSA-N
DB03539
EXPT02280
2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose
null
null
null
YJMIXNAZGREWGZ-GKHCUFPYSA-N
DB03540
EXPT02311
Norcamphor
null
null
null
KPMKEVXVVHNIEY-NTSWFWBYSA-N
DB03541
EXPT00839
10-Propargyl-5,8-Dideazafolic Acid
null
null
null
LTKHPMDRMUCUEB-IBGZPJMESA-N
DB03542
EXPT02036
L-Myo-Inositol-1-Phosphate
null
null
null
INAPMGSXUVUWAF-PTQMNWPWSA-L
DB03543
EXPT00024
1-(O-Carboxy-Phenylamino)-1-Deoxy-D-Ribulose-5-Phosphate
null
null
null
AULMJMUNCOBRHC-MXWKQRLJSA-N
DB03544
EXPT01036
S-Phosphocysteine
null
71TL25Z12V
null
MNEMQJJMDDZXRO-REOHCLBHSA-N
DB03546
EXPT01969
N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid
null
null
null
KOLDLUFBEMUZIM-YNPGLMGXSA-N
DB03548
EXPT01967
3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
null
null
3-deoxy-α-D-manno-oct-2-ulopyranosonic acid | α-2-keto-3-deoxyoctulosonic acid pyranose | α-Kdo | α-KDop
NNLZBVFSCVTSLA-HXUQBWEZSA-N
DB03549
EXPT00731
Biotinyl P-Nitroaniline
null
null
null
PORZMUYPQKOFQY-YDHLFZDLSA-N
DB03550
EXPT01909
Isopenicillin N
58678-43-6
null
null
MIFYHUACUWQUKT-GTQWGBSQSA-N
DB03551
EXPT01206
(3R,4R)-3-Hydroxy-4-(hydroxymethyl)-1-[(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidinium
null
null
null
WFVGWLHAOKEIOJ-MFQSTILNSA-O
DB03552
EXPT01333 | EXPT02254 | DB02387
3-Tyrosine
587-33-7
D5YF57V4QW
3-(m-Hydroxyphenyl)alanine | 3-Hydroxy-L-phenylalanine | 3-Hydroxyphenylalanine | L-m-Tyr | L-m-Tyrosine | L-mTyr | m-L-Tyrosine | m-tyrosine | meta-tyrosine
JZKXXXDKRQWDET-QMMMGPOBSA-N
DB03553
EXPT01668
Glutaric Acid
110-94-1
H849F7N00B
null
JFCQEDHGNNZCLN-UHFFFAOYSA-N
DB03554
EXPT01946
5-Iodouracil
696-07-1
H59BRK500M
null
KSNXJLQDQOIRIP-UHFFFAOYSA-N
DB03555
EXPT01016
CRA_11092
null
null
null
CMCDWLMEDRBWIR-GTNSWQLSSA-N
DB03556
EXPT02539
2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400
null
null
null
CUDPPTPIUWYGFI-UHFFFAOYSA-N
DB03557
EXPT02927
4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid
null
null
null
JNKZDIBIDJQPGC-BOMBAVFCSA-N
DB03558
EXPT03087
SP-876
null
null
1-[(4-{[(1S)-1,3-Dicarboxypropyl]carbamoyl}phenyl)sulfonyl]-D-prolyl-β-alanine
SRAHBOKVSSZEHQ-LSDHHAIUSA-N
DB03559
EXPT01065
Cyclohexylformamide
766-93-8
X2CFE4SDT6
Formamidocyclohexane | N-cyclohexylformamide | N-formylcyclohexylamine
SWGXDLRCJNEEGZ-UHFFFAOYSA-N
DB03560
EXPT01694
P-Hydroxybenzaldehyde
123-08-0
O1738X3Y38
null
RGHHSNMVTDWUBI-UHFFFAOYSA-N
DB03562
EXPT03059
Tetrahydrodeoxyuridine
null
null
null
XMJRLEURHMTTRX-FWHJPCMOSA-N
DB03564
EXPT02231
(4r)-2-Methylpentane-2,4-Diol
null
null
null
SVTBMSDMJJWYQN-YFKPBYRVSA-N
DB03565
EXPT01580
1-O-Octyl-2-Heptylphosphonyl-Sn-Glycero-3-Phosphoethanolamine
null
null
null
RCCNUBYROFOKAU-HXUWFJFHSA-N
DB03566
EXPT02942
Spermidine
124-20-9
U87FK77H25
1,5,10-triazadecane | 4-azaoctamethylenediamine | 4-azaoctane-1,8-diamine | N-(3-Aminopropyl)-1,4-butane-diamine | N-(3-aminopropyl)butane-1,4-diamine | Spermidin | Spermidine
ATHGHQPFGPMSJY-UHFFFAOYSA-N
DB03567
EXPT00365
alpha-N-Acetyl-D-galactosamine
14215-68-0
00C01APN10
GalNAc-α | N-acetyl-2-deoxy-2-amino-galactose | N-acetyl-alpha-D-galactosamine | N-acetyl-α-D-galactosamine | Tn antigen saccharide | Tn antigen saccharide component | Tn saccharide | Tn saccharide component | α-GalNAc | α-GalpNAc
OVRNDRQMDRJTHS-CBQIKETKSA-N
DB03568
EXPT00774
Butyric Acid
107-92-6
40UIR9Q29H
1-propanecarboxylic acid | Butanoic acid | Butyrate | Butyricum acidum | Ethylacetic acid | N-butanoic acid | N-butyric acid | Propylformic acid
FERIUCNNQQJTOY-UHFFFAOYSA-N
DB03569
EXPT01844
4,5-Dehydro-L-Iduronic Acid
null
null
null
BPCLKHIDDIVGBM-QEMYTOFESA-N
DB03570
EXPT00030
Tris-Hydroxymethyl-Methyl-Ammonium
null
89W2RM9EWB
null
DRDCQJADRSJFFD-UHFFFAOYSA-N
DB03571
EXPT00198
3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide
null
null
null
JMQTXEWNXSPEKX-UHFFFAOYSA-N
DB03572
EXPT01484
FR230513
null
null
null
URGFTPMACWKJKU-OAHLLOKOSA-N
DB03573
EXPT02751
WRR-99
null
null
null
KVZMXOVSHIMGNA-CVEARBPZSA-N
DB03574
EXPT01403
Ferricrocin-iron
null
null
null
QLXOENUMLPDRSK-AFXYHRJJSA-Q
DB03575
EXPT03307
Phencyclidine
77-10-1
J1DOI7UV76
1-(1-Phenylcyclohexyl)piperidine | Fenciclidina | PCP | Phencyclidine | Phencyclidinum
JTJMJGYZQZDUJJ-UHFFFAOYSA-N
DB03576
EXPT03066
N-Pyridoxyl-Threonine-5-Monophosphate
null
null
null
IZWQBQLGLAKRMN-UHFFFAOYSA-N
DB03577
EXPT00105
Alpha-Benzyl-Aminobenzyl-Phosphonic Acid
null
null
null
SLMGIUOAZCYKPE-CQSZACIVSA-N
DB03578
EXPT02721
Pyruvamide
631-66-3
P4O9E1R444
null
FPOLWERNILTNDK-UHFFFAOYSA-N
DB03581
EXPT01538
Glucose-6-Phosphate
56-73-5
375AW34SQA
null
VFRROHXSMXFLSN-SLPGGIOYSA-N
DB03582
EXPT02981
N~2~-Succinylornithine
null
null
null
VWXQFHJBQHTHMK-LURJTMIESA-N
DB03583
EXPT02828
(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one
null
null
null
AYOAIABDFUJDKQ-SQJPUDIVSA-N
DB03584
EXPT01645 | EXPT02895 | EXPT01648 | DB03188 | DB03599
4-Thio-beta-D-glucopyranose
null
null
4-deoxy-4-Thio-beta-D-glucopyranose | 4-Thio-β-D-glucopyranose
KGSURTOFVLAWDC-QZABAPFNSA-N
DB03585
EXPT02440
Oxyphenbutazone
129-20-4
A7D84513GV
Oxifenbutazona | Oxiphenbutazone | Oxyphenbutazone | Oxyphenbutazonum
HFHZKZSRXITVMK-UHFFFAOYSA-N
DB03586
EXPT03266
(3R,4R,5S,6R)-6-Fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate
null
null
null
CSWSGZBYLQUXQI-ZAMRNKCBSA-N
DB03587
EXPT02707
Pyruvaldehyde
78-98-8
722KLD7415
2-ketopropionaldehyde | 2-oxopropanal | Acetyl formaldehyde | Acetylformyl | alpha-ketopropionaldehyde | Methyl glyoxal | Methylglyoxal | Pyruvic aldehyde
AIJULSRZWUXGPQ-UHFFFAOYSA-N
DB03588
EXPT01167
Diphenylacetic acid
117-34-0
658NCZ0NKO
2,2-diphenylacetic acid | α-phenylbenzeneacetic acid
PYHXGXCGESYPCW-UHFFFAOYSA-N
DB03589
EXPT02110
Mesoxalic acid
473-90-5
62R514HE48
alpha-Ketomalonic acid | Ketomalonic acid | Oxomalonic acid
XEEVLJKYYUVTRC-UHFFFAOYSA-N
DB03590
EXPT00541
2,6-Diaminopimelic Acid
null
K3I8AN6S7F
null
GMKMEZVLHJARHF-WHFBIAKZSA-N
DB03591
EXPT00322
RU82209
null
null
null
LVZDQVATAQEMCX-NSOVKSMOSA-N
DB03592
EXPT02619
Pterin-6-Yl-Methyl-Monophosphate
null
null
null
AJXFJEHKGGCFNM-UHFFFAOYSA-N
DB03593
EXPT01539
7-methyl-5'-guanylic acid
null
M5SL28EU5R
7-methylguanosine 5'-(dihydrogen phosphate) | 7-methylguanosine 5'-phosphate
AOKQNZVJJXPUQA-KQYNXXCUSA-O
DB03594
EXPT03109
1,2,4-Triazole
63598-71-0
10MS0Y1RDI
null
NSPMIYGKQJPBQR-UHFFFAOYSA-N
DB03595
EXPT00302
CRA_9785
null
null
null
PJUALJXOBAXGBO-UHFFFAOYSA-N
DB03596
EXPT02851
N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide
null
null
null
FSRPBGBMEKDSIJ-CYBMUJFWSA-N
DB03597
EXPT01826
gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine
null
null
null
QFYJAEOZTBVJQM-STQMWFEESA-N
DB03598
EXPT01889
Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]
null
null
null
XSUAVPPTKHUTDX-UHFFFAOYSA-N
DB03600
EXPT01213 | DB03838
Capric acid
334-48-5
4G9EDB6V73
1-nonanecarboxylic acid | Capric acid | Decanoic acid | n-capric acid | n-decanoic acid | n-decylic acid
GHVNFZFCNZKVNT-UHFFFAOYSA-N
DB03601
EXPT01172
5-deoxyflavanone
578-86-9
T194LKP9W6
null
FURUXTVZLHCCNA-AWEZNQCLSA-N
DB03602
EXPT01647
S-benzylglutathione
null
null
S-benzyl-glutathione
XYJWEQWNNKNSFU-STQMWFEESA-N
DB03603
EXPT01594
Glucaric acid
87-73-0
QLZ991V4A2
null
DSLZVSRJTYRBFB-LLEIAEIESA-N
DB03604
EXPT00217 | DB12922
Tiratricol
51-24-1
29OQ9EU4R1
3,5,3'-Triiodothyroacetate | 3',3,5-Triiodothyroacetic acid | Tiratricol | Tiratricolum | Triacana | Triiodothyroacetic acid
UOWZUVNAGUAEQC-UHFFFAOYSA-N
DB03605
EXPT00039
(2s)-2-[(2,4-Dichloro-Benzoyl)-(3-Trifluoromethyl-Benzyl)-Amino]-3-Phenyl-Propionic Acid
null
null
null
LAJJKGIZTCCOHY-NRFANRHFSA-N
DB03606
EXPT00229
(S)-Rolipram
85416-73-5
H6G4VMQ24K
(+)-rolipram | (S)-(+)-rolipram | S-rolipram
HJORMJIFDVBMOB-GFCCVEGCSA-N
DB03607
EXPT00936
[(1R)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron
null
null
null
RJXOEUFRQATKAB-RYUDHWBXSA-N
DB03608
EXPT00754
Diminazene
536-71-0
Y5G36EEA5Z
4,4'-(1-triazene-1,3-diyl)bis-benzenecarboximidamide | 4,4'-(diazoamino)benzamidine | Diminazene | Diminazène | Diminazeno | Diminazenum
XNYZHCFCZNMTFY-UHFFFAOYSA-N
DB03609
EXPT00167
3'-deoxyguanosine
3608-58-0
null
null
OROIAVZITJBGSM-OBXARNEKSA-N
DB03610
EXPT01405
4-(trifluoromethyl)phenol
402-45-9
G8PMO13PO4
4-hydroxybenzotrifluoride | 4-trifluoromethylphenol | α,α,α-trifluoro-p-cresol
BAYGVMXZJBFEMB-UHFFFAOYSA-N
DB03611
EXPT00504
L-2-amino-4-methoxy-cis-but-3-enoic acid
null
null
null
HLOPMQJRUIOMJO-SWOZAWMQSA-N
DB03612
EXPT00172
3-Hydroxybutyryl-Coenzyme A
null
null
null
QHHKKMYHDBRONY-RMNRSTNRSA-N
DB03613
EXPT00209
4-hydroxyphenacyl coenzyme A
null
null
null
ZQLMPRRTUJBILA-VXAHOBLNSA-N