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
DB04039
EXPT02034
3-Oxo-Pentadecanoic Acid
null
null
null
CJTNJZWHYGHVCD-UHFFFAOYSA-N
DB04040
EXPT00072
N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(α-D-galactopyranosyloxy)-5-nitrobenzamide
null
null
null
MCMWCTMAKPQTPI-WGNYYXNJSA-N
DB04041
EXPT02306
Nitrocefin Acyl-Serine
null
null
null
GPHOELDACAWWAE-DEKCOHRESA-L
DB04042
EXPT00465
2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol
null
null
null
XLJNZONSWKENRP-VABIIVNOSA-N
DB04043
EXPT00952
Carboxymycobactin T
null
null
null
GJJULHJRORAZCG-QMDLAEJKSA-M
DB04044
EXPT00061
4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid
null
null
null
NAQUAVBNIYTIIS-UHFFFAOYSA-N
DB04045
EXPT02132
(R)-methylmalonyl-CoA
null
null
(R)-2-Methyl-3-oxopropanoyl-CoA | (R)-2-Methyl-3-oxopropionyl-CoA | (R)-3-Oxo-2-methylpropanoyl-CoA | Methylmalonyl-coenzyme A
MZFOKIKEPGUZEN-AGCMQPJKSA-N
DB04046
EXPT02122 | DB03324
Methyl beta-galactoside
null
64RYD088RJ
null
HOVAGTYPODGVJG-VOQCIKJUSA-N
DB04047
EXPT01742
6-hydroxymethylpterin diphosphate
6863-06-5
H4K6WCP5DQ
2-Amino-4-hydroxy-6-hydroxymethylpteridine pyrophosphate
AMDUVUKDRBIVAH-UHFFFAOYSA-N
DB04048
EXPT02308
N-Carbamoyl-Alanine
null
null
null
LUSWEUMSEVLFEQ-UWTATZPHSA-N
DB04049
EXPT00888
Coelenteramide
null
S5MSB8RF66
null
CJIIERPDFZUYPI-UHFFFAOYSA-N
DB04050
EXPT02384
N-Propyl Isocyanide
null
5E1K8OTJ0C
null
FFDKYFGBIQQMSR-UHFFFAOYSA-N
DB04051
EXPT00258
5-phenylpentanoic acid
2270-20-4
XYJ5U8LCQ8
5-Phenylvaleric acid | Benzenepentanoic-acid | Phenylpentanoic acid | Phenylvaleric acid | δ-phenylvaleric acid
BYHDDXPKOZIZRV-UHFFFAOYSA-N
DB04052
EXPT00131
3,4-Xylenol
95-65-8
4L479F5JU6
1-Hydroxy-3,4-dimethylbenzene | 1,3,4-Xylenol | 3,4-Dimethylphenol | 3,4-DMP | 4,5-Dimethylphenol
YCOXTKKNXUZSKD-UHFFFAOYSA-N
DB04053
EXPT02627
Hypophosphite
15460-68-1
238U65NZ04
Hypophosphite ion
GQZXNSPRSGFJLY-UHFFFAOYSA-M
DB04054
EXPT02691
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine
null
null
null
PASRTKOWXJDFFV-UHFFFAOYSA-N
DB04055
EXPT00707
2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium
null
null
null
HMSIYRVIPQHZBI-UHFFFAOYSA-O
DB04057
EXPT02233
N-[4-([(2-Amino-4-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]-2-propenoyl}amino)benzoyl]-L-glutamic acid
null
null
beta-DADF, MSA, multisubstrate adduct inhibitor | β-DADF, MSA, multisubstrate adduct inhibitor
XRZABKCMPVBQFX-UGTLBTQMSA-N
DB04058
EXPT01885
N-Carbamoylphenylalanine
949-45-1
7XS3UG99LC
(-)-N-Carbamoylphenylalanine | N-(Aminocarbonyl)-L-phenylalanine
IPWQOZCSQLTKOI-QMMMGPOBSA-N
DB04059
EXPT03179
8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide
null
null
null
GRQLDCHTDNYVQI-UHFFFAOYSA-N
DB04060
EXPT02250
(5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate
null
null
null
MUWYCJQCZPFLFI-IVZWLZJFSA-N
DB04061
EXPT01849
Alpha-Amino-2-Indanacetic Acid
null
null
null
GUDHMDVRURNAHL-SNVBAGLBSA-N
DB04062
EXPT01401
beta-D-fucose
28161-52-6
ZU9GS9H79G
β-D-Fuc | β-D-fucose
SHZGCJCMOBCMKK-FPRJBGLDSA-N
DB04063
EXPT00130
alpha-Methylleucine
105743-53-1
83ASW57LTZ
(S)-2-Methylleucine | 2-Methyl-L-leucine
ARSWQPLPYROOBG-ZETCQYMHSA-N
DB04064
EXPT02339
Nogalaviketone
null
null
null
QHNJNOBWURJIEK-UHFFFAOYSA-N
DB04065
EXPT00857
N-Cyclopentyl-N-Cyclobutylformamide
null
M756UR7EKU
null
DWGVYBRKKSJLNS-UHFFFAOYSA-N
DB04066
EXPT01706
p-Coumaric acid
501-98-4
IBS9D1EU3J
(2E)-3-(4-hydroxyphenyl)acrylic acid | (E)-3-(4-hydroxyphenyl)-2-propenoic acid | (E)-p-coumaric acid | (E)-p-hydroxycinnamic acid | 4-coumaric acid | 4-Hydroxycinnamic acid | 4'-hydroxycinnamic acid | naringeninic acid | p-Coumaric acid | para-Coumaric Acid | trans-4-coumaric acid | trans-4-hydroxycinnamic acid | trans-p-coumaric acid | trans-p-coumarinic acid | trans-p-Hydroxycinnamate | trans-p-hydroxycinnamic acid
NGSWKAQJJWESNS-ZZXKWVIFSA-N
DB04067
EXPT00207
4-hydroxybenzyl coenzyme A
null
null
null
FZQUTWRNQJPTSH-SXQYHYLKSA-N
DB04068
EXPT01512
2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate
null
null
FUDP
WLQBZMZTRNPUDL-SHYZEUOFSA-N
DB04069
EXPT01270
5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine
null
null
null
QKVREUJWFZJEJK-UHFFFAOYSA-N
DB04070
EXPT01153
6-Deoxyerythronolide B
null
null
null
HQZOLNNEQAKEHT-IBBGRPSASA-N
DB04071
EXPT02487
Cpad
null
null
null
LFERELMXERXKKQ-KMXXXSRASA-N
DB04072
EXPT02174
Alpha-Methylisocitric Acid
null
null
null
HHKPKXCSHMJWCF-WVBDSBKLSA-N
DB04073
EXPT00043
N-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide
null
null
null
UEIGEWJJVQHIAX-DLBZZEGUSA-N
DB04074
EXPT01974
alpha-Ketoisovalerate
759-05-7
34P71D50E0
2-Keto-3-methylbutyric acid | 2-Ketoisovaleric acid | 2-Ketovaline | 2-Oxo-3-methylbutanoic acid | 3-Methyl-2-oxobutanoate | 3-Methyl-2-oxobutanoic acid | 3-Methyl-2-oxobutyric acid | alpha-Ketovaline | Dimethylpyruvic acid | Isopropylglyoxylic acid | α-keto-isovaleric acid | α-oxo-β-methylbutyricacid | α-oxoisovaleric acid
QHKABHOOEWYVLI-UHFFFAOYSA-N
DB04075
EXPT02356
N-Acetyl-L-Glutamate
1188-37-0
MA61H539YZ
null
RFMMMVDNIPUKGG-YFKPBYRVSA-N
DB04076
EXPT01767
Hypoxanthine
68-94-0
2TN51YD919
null
FDGQSTZJBFJUBT-UHFFFAOYSA-N
DB04079
EXPT01791
Heptane-1,2,3-Triol
null
null
null
HXYCHJFUBNTKQR-RNFRBKRXSA-N
DB04080
EXPT00305
RU78191
null
92EX195E1G
null
WWYDYZMNFQIYPT-UHFFFAOYSA-N
DB04081
EXPT02251
(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide
null
null
null
PYXFWOIZPYXNRU-FSPLSTOPSA-N
DB04082
EXPT01158
Decyloxy-Methanol
null
null
null
CDMVCFBAVCCGIE-UHFFFAOYSA-N
DB04083
EXPT02040
N(6)-(pyridoxal phosphate)-L-lysine
2440-59-7
QM00M3504A
(S)-2-amino-6-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-4-pyridine)methyleneamino]hexanoic acid | N6-((3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)-L-lysine
YQSOQJORMNSDJL-QFULYMJESA-N
DB04084
EXPT02107
2-deoxy-2-fluoro-α-D-mannose
62182-14-3
null
2-deoxy-2-fluoro-alpha-D-mannose
ZCXUVYAZINUVJD-RXRWUWDJSA-N
DB04085
EXPT02445
Bis(N-maleimidomethyl)ether
15209-14-0
5AO12W9Y4D
N,N'-(Oxydimethylene)dimaleimide
UTRLJOWPWILGSB-UHFFFAOYSA-N
DB04086
EXPT01130
2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside
null
null
null
WFVCNOHOODVBQK-IUBYCILNSA-N
DB04087
EXPT01769
Open Form of 2'-Deoxy-Ribofuranose-5'-Phosphate
null
null
null
YCHBTVQJICBXEI-CRCLSJGQSA-N
DB04088
EXPT00193
2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid
null
null
null
JTJBRKLISQICDU-DEOSSOPVSA-N
DB04089
EXPT00488
AL5300
null
null
null
HHPUQNGRNUOYCD-VIFPVBQESA-N
DB04090
EXPT02778 | DB06312 | DB12103
RH-1
221635-42-3
IJ5CEP760Y
2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-
JKDLOGLNPDVUCX-UHFFFAOYSA-N
DB04092
EXPT00584
Apstatin
160470-73-5
JZK8P9AG86
null
YVUUZAPYLPWFHE-HXFGRODQSA-N
DB04093
EXPT03190
Undecanal
112-44-7
B6P0A9PSHN
n-Undecanal | Undecanal | Undecanaldehyde | Undecyl aldehyde | Undecylaldehyde | Undecylic aldehyde
KMPQYAYAQWNLME-UHFFFAOYSA-N
DB04094
EXPT00777
4-hydroxybutan-2-one
590-90-9
TCM0BJ44MF
3-Oxo-1-butanol | 3-Oxobutanol | 4-Hydroxy-2-butanone | Methylolacetone | Monomethylolacetone
LVSQXDHWDCMMRJ-UHFFFAOYSA-N
DB04095
EXPT00359
9-Deazahypoxanthine
null
null
null
UWMXUDUWVFWJPX-UHFFFAOYSA-N
DB04096
EXPT00398
(2R,3R,4R,5R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-oxo-3-piperidinyl beta-D-glucopyranoside
null
null
null
WXSNJJDPPISYEF-ZNLUKOTNSA-N
DB04097
EXPT03174
Uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-D-galactose
null
null
UDP-4-fluoro-4-deoxy-alpha-D-glucose
OAPPZHVTNHJVAL-JZMIEXBBSA-N
DB04098
EXPT00617
Balanol
null
O0N0E1MP23
null
XYUFCXJZFZPEJD-PGRDOPGGSA-N
DB04099
EXPT01234
Deamido-Nad+
null
null
null
SENPVEZBRZQVST-HISDBWNOSA-O
DB04100
EXPT02771
Tricarbonyl(1,10-phenanthroline)rhenium(1+)
null
null
(1,10 phenanthroline)-(tri-carbon monoxide) rhenium (I) | tricarbonyl(1,10-phenanthroline)rhenium(I)
XCPVAMYUZCTTHM-UHFFFAOYSA-N
DB04101
EXPT00926
N'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide
null
null
null
OVKZTPFHUYGZBI-UHFFFAOYSA-N
DB04102
EXPT00101
2-Amino-Adenosine
null
null
null
CQKMBZHLOYVGHW-QYYRPYCUSA-N
DB04103
EXPT00178
3-Methylcytosine
null
null
null
UPHQQDZIRIHPHU-UHFFFAOYSA-O
DB04104
EXPT00431
3-Methyladenine
5142-23-4
DR88TV7SNU
3-methyl-3H-adenine | 3-methyladenine | 6-amino-3-methylpurine
FSASIHFSFGAIJM-UHFFFAOYSA-N
DB04105
EXPT01771
N-Heptylformamide
null
E80SN819M5
null
YAUHDTOEJHVKJO-UHFFFAOYSA-N
DB04106
EXPT03300
Fotemustine
92118-27-9
GQ7JL9P5I2
(+-)-Diethyl (1-(3-(2-chloroethyl)-3-nitrosoureido)ethyl)phosphonate | (±)-DIETHYL (1-(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)ETHYL)PHOSPHONATE | Diethyl-1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate | Fotemustina | Fotemustine | Fotemustinum | Mustoforan | PHOSPHONIC ACID, (1-((((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)AMINO)ETHYL)-, DIETHYL ESTER | PHOSPHONIC ACID, P-(1-((((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)AMINO)ETHYL)-, DIETHYL ESTER
YAKWPXVTIGTRJH-UHFFFAOYSA-N
DB04107
EXPT02999
[(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester
null
null
null
RNOYCNIZOAIUSV-LSWMGQQCSA-N
DB04108
EXPT00526
(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide
null
null
null
AIIOXZPEXXZCML-KKXDTOCCSA-N
DB04109
EXPT02862
[4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine
null
null
null
XCLFQXCQQHVLJQ-UHFFFAOYSA-O
DB04110
EXPT02314
2-Nitro-4-cresol
119-33-5
P92KPK2NL3
2-Nitro-4-methylphenol | 2-Nitro-P-cresol | o-Nitro-p-cresol
SYDNSSSQVSOXTN-UHFFFAOYSA-N
DB04111
EXPT00727
Balhimycin
140932-79-2
null
null
WKNFBFHAYANQHF-UHFFFAOYSA-N
DB04112
EXPT01881
(2R)-2-Acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen phosphate
null
null
1-Octadecyl-2-acetamido-2-deoxy-SN-glycerol-3-phosphoethylmethyl sulfide
ZULTVWFLRZJENJ-AREMUKBSSA-N
DB04113
EXPT01477
N-Formylpiperidine
2591-86-8
ZIQ29H6CZG
1-Formylpiperidine | 1-Piperidinecarboxaldehyde | Formylpiperidine | Piperidinoformamide
FEWLNYSYJNLUOO-UHFFFAOYSA-N
DB04114
EXPT01796
3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine
null
null
null
QTPHSDHUHXUYFE-NWDGAFQWSA-N
DB04115
EXPT00672
Berberine
2086-83-1
0I8Y3P32UF
null
YBHILYKTIRIUTE-UHFFFAOYSA-N
DB04116
EXPT01999
Allolactose
645-03-4
null
6-O-β-D-galactopyranosyl-D-glucopyranose
DLRVVLDZNNYCBX-VDGMBKLFSA-N
DB04117
EXPT01108
4-(N,N-Dimethylamino)cinnamoyl-CoA
null
null
null
WWUPGKDRUIPTRA-XITLLWRLSA-N
DB04118
EXPT01087
N-Coeleneterazine
null
null
null
OMOBIXPIGAIKCC-YZNIXAGQSA-N
DB04119
EXPT03019
Hexatantalum Dodecabromide
null
null
null
YWYIQTPPCOBSGN-UHFFFAOYSA-M
DB04120
EXPT02138
4-Methyl-1,2-Benzenediol
452-86-8
12GLI7JGB3
null
ZBCATMYQYDCTIZ-UHFFFAOYSA-N
DB04121
EXPT01529
Guanosine-3'-monophosphate-5'-diphosphate
null
null
Guanosine 3'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)
HEYSFDAMRDTCJM-UUOKFMHZSA-N
DB04122
EXPT00684
beta-D-glucose 6-phosphate
15209-12-8
G6FRT62N3J
6-H2PO3Glcβ | 6-O-phosphono-β-D-glucopyranose | beta-D-glucose 6-(dihydrogen phosphate) | beta-D-Glucose 6-phosphic acid | beta-D-glucose-6-phosphate | β-D-glucose 6-phosphate
NBSCHQHZLSJFNQ-VFUOTHLCSA-N
DB04123
EXPT01921
(P-Iodophenylacetylamino)Methylphosphinic Acid
null
null
null
NJMHQBSYSLWOQF-UHFFFAOYSA-N
DB04124
EXPT02115
Aurodox
12704-90-4
PGP5RZH64G
1-methylmocimycin | Goldinodox | Goldinomycin
NTAHMPNXQOYXSX-WKSONYIQSA-N
DB04125
EXPT01411
N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine
null
null
null
ZUWBXGHMVKDMQO-DEOSSOPVSA-N
DB04126
EXPT01318
N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane
null
null
null
KBIWEWPGBHKYML-RYUDHWBXSA-N
DB04127
EXPT00395
beta-D-arabinofuranose 5-phosphate
null
null
5-O-phosphono-β-D-arabinofuranose | β-D-arabinofuranose 5-phosphate
KTVPXOYAKDPRHY-SQOUGZDYSA-N
DB04128
EXPT02045
5-Nitroso-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione
null
null
1-Deoxy-1-[(5-nitroso-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-D-ribitol
YMWIHKCBRFEJMH-RPDRRWSUSA-N
DB04129
EXPT01797
Willardiine
21416-43-3
X2R4I0X4W9
beta-(2,4-Dihydroxypyrimidin-1-yl)alanine
KCGPSMHZJWSWPT-UHFFFAOYSA-N
DB04130
EXPT00256
5-Methoxybenzimidazole
null
Y9FY4BD73M
null
ILMHAGCURJPNRZ-UHFFFAOYSA-N
DB04131
EXPT00485
10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione
null
null
null
BLGDWFJQIHBUJY-NWJGULHDSA-N
DB04132
EXPT01664
S-Hexylglutathione
24425-56-7
M73SNN908F
Hexylglutathione | S-Hexyl-glutathione | S-Hexyl-L-glutathione
HXJDWCWJDCOHDG-RYUDHWBXSA-N
DB04133
EXPT00884
Degraded Cephaloridine
null
null
null
SFVACKBZMIZHCK-ZWNOBZJWSA-N
DB04135
EXPT01480
(4S)-5-Fluoro-4-hydroxy-3,4-dihydro-2(1H)-pyrimidinone
null
null
(4S)-5-Fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
PRVUBDAKZJCBTI-VKHMYHEASA-N
DB04136
EXPT02059
Lysophosphotidylserine
null
null
null
RPZLJDFLPRHXGM-HSALFYBXSA-N
DB04137
EXPT01660
Guanosine-5'-Triphosphate
86-01-1
01WV7J708X
null
XKMLYUALXHKNFT-UUOKFMHZSA-N
DB04138
EXPT00668
5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide
null
null
2,4-Dinitro,5-[bis(2-bromoethyl)amino]-N-(2',3'-dioxopropyl)benzamide
LECLJMCDJUEAKI-UHFFFAOYSA-N
DB04139
EXPT01776
6-Hydroxypropylthymine
null
E5AK9SKZ52
6–(3-hydroxypropyl)thymine
OIEJBPVNLZZLGQ-UHFFFAOYSA-N
DB04140
EXPT00633
1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
null
null
null
SUSMVCKSLVPRCL-QGZVFWFLSA-N
DB04141
EXPT00697
2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol
null
null
null
JVAZJLFFSJARQM-YBXAARCKSA-N
DB04142
EXPT00631
3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide
null
null
null
FEYGJZKVMASWJB-UHFFFAOYSA-N
DB04143
EXPT01850
Indole-3-Glycerol Phosphate
null
null
null
NQEQTYPJSIEPHW-MNOVXSKESA-N