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
DB03079
EXPT00084
Alpha-Ribazole-5'-Phosphate Derivative
null
null
null
YPYFPLLZCVEYCS-KKOKHZNYSA-N
DB03081
EXPT00864
[N-[N-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-aspartyl]-D-(4-amidino-phenylalanyl)]-piperidine
146663-95-8
null
null
ZOXOKTJHZSUHRJ-XZOQPEGZSA-N
DB03082
EXPT03178
6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
null
null
null
CSWQJKHBMACTGB-UHFFFAOYSA-N
DB03083
EXPT01830
IC261
null
null
null
JBJYTZXCZDNOJW-JLHYYAGUSA-N
DB03084
EXPT00348
Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine
null
null
null
XCTKFTOEAKJMII-UHFFFAOYSA-N
DB03085
EXPT01629 | DB11307
Glycolic acid
79-14-1
0WT12SX38S
2-Hydroxyacetic acid | 2-Hydroxyethanoic acid | alpha-Hydroxyacetic acid | Glycollic acid | Hydroxyacetic acid | Hydroxyethanoic acid | α-hydroxyacetic acid
AEMRFAOFKBGASW-UHFFFAOYSA-N
DB03086
EXPT00527
N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide
null
null
null
IQMLIGOOOFEBAH-CVEARBPZSA-N
DB03087
EXPT03152
2-(Sec-Butyl)Thiazole
null
null
null
MHJSWOZJMPIGJQ-ZCFIWIBFSA-N
DB03088
EXPT00247
Pidolic acid
98-79-3
SZB83O1W42
(−)-2-pyrrolidone-5-carboxylic acid | (S)-(−)-2-pyrrolidone-5-carboxylic acid | (S)-pyroglutamic acid | 5-L-oxoproline | 5-oxo-2-pyrrolidinecarboxylic acid | 5-oxo-L-proline | 5-Pyrrolidone-2-carboxylic acid | Glutimic acid | L-5-Pyrrolidone-2-carboxylic acid | L-pyroglutamic acid | L-pyrrolidone carboxylic acid | PCA | Pidolic acid | Pyroglutamic acid
ODHCTXKNWHHXJC-VKHMYHEASA-N
DB03090
EXPT02676
Ethylaminobenzylmethylcarbonyl Group
null
null
null
XGTNRXVUBSVMCM-CABCVRRESA-N
DB03091
EXPT01619
Isoglutamine
636-65-7
WL74QNU57B
Glutamic acid alpha-amide | L-alpha-Glutamine | L-Glutamic acid alpha-amide | L-Isoglutamine
AEFLONBTGZFSGQ-VKHMYHEASA-N
DB03092
EXPT01756
5-Hydroxymethyl-Chonduritol
null
J5344DZ89S
null
PJPGMULJEYSZBS-VZFHVOOUSA-N
DB03093
EXPT02693
8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine
null
null
null
MWHAHELTVGJGFJ-UHFFFAOYSA-N
DB03094
EXPT00055
3,5-Dihydro-5-Methylidene-4h-Imidazol-4-On
null
null
null
MOTCYKZNVUEYFO-VPLCAKHXSA-N
DB03095
EXPT03069
Tetramethylammonium
51-92-3
H0W55235FC
Trimethylaminomethane
QEMXHQIAXOOASZ-UHFFFAOYSA-N
DB03096
EXPT01341
2-Morpholinoethylamine
2038-03-1
T92F2H779P
2-Morpholinoethanamine | 4-Morpholineethanamine | beta-Aminoaethyl-morpholin | N-2-Aminoethylmorpholine | N-Aminoethylmorpholine
RWIVICVCHVMHMU-UHFFFAOYSA-N
DB03097
EXPT02617
PMP-hydroxyisoxazole, pyridoxamine-5-phosphate-hydroxyisoxazole
null
null
null
PXWFNGNWQUPGPJ-UHFFFAOYSA-N
DB03098
EXPT02237
[Methylseleno]Acetate
null
null
null
UOULLTHLSZQUIN-UHFFFAOYSA-M
DB03099
EXPT03191
5-Amino 6-Nitro Uracil
null
null
null
CLOSWQFGCBFNCK-UHFFFAOYSA-N
DB03100
EXPT00288
6-Nitroindazole
null
null
null
ORZRMRUXSPNQQL-UHFFFAOYSA-N
DB03101
EXPT02743
Ribose-1-Phosphate
null
null
null
YXJDFQJKERBOBM-TXICZTDVSA-N
DB03102
EXPT02439
2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid
null
null
null
SNNOZMNTPOIDSI-UHFFFAOYSA-N
DB03103
EXPT03136
Thymidine-5'- Diphosphate
null
QQ3K1P45DF
null
UJLXYODCHAELLY-XLPZGREQSA-N
DB03104
EXPT00321
2-[4-[(Z)-2-Acetamido-3-oxo-3-[[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid
null
null
null
NKMPOVPTYDXGEC-MNRBYUMSSA-N
DB03105
EXPT01193
L-Pentahomoserine
6152-89-2
4U1FH45CS8
(S)-5-Hydroxynorvaline | 5-Hydroxy-2-aminovaleric acid | L-5-Hydroxynorvaline | L-alpha-Amino-delta-hydroxyvaleric acid
CZWARROQQFCFJB-BYPYZUCNSA-N
DB03106
EXPT01892 | DB05987 | DB11931
scyllo-inositol
488-59-5
1VS4X81277
1,3,5/2,4,6-cyclohexanehexol | Cocositol | Quercinitol | Scyllitol
CDAISMWEOUEBRE-CDRYSYESSA-N
DB03107
EXPT00624
beta-Alanine
107-95-9
11P2JDE17B
3-aminopropanoic acid | 3-aminopropionic acid | beta-Alanine | β-alanine | β-aminopropionic acid | ω-aminopropionic acid
UCMIRNVEIXFBKS-UHFFFAOYSA-N
DB03108
EXPT01166
4-phospho-D-erythronic acid
null
null
4-Phospho-D-Erythronate | 4-Phosphoerythronate
ZCZXOHUILRHRQJ-PWNYCUMCSA-N
DB03109
EXPT02281
2-acetylamino-2-deoxy-b-D-allopyranose
null
null
N-acetyl-D-allosamine
OVRNDRQMDRJTHS-UIAUGNHASA-N
DB03110
EXPT00108
2-Chlorophenol
95-57-8
K9KAV4K6BN
2-chloro-1-hydroxybenzene | o-chlorophenol
ISPYQTSUDJAMAB-UHFFFAOYSA-N
DB03111
EXPT01631
Glucosamine 1-Phosphate
null
BSG3MU7VAE
null
YMJBYRVFGYXULK-QZABAPFNSA-N
DB03112
EXPT02904
6-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Hexanoic Acid
null
null
null
CUIOUBJXOZHWNJ-NRPADANISA-N
DB03113
EXPT01475
3-Fluoro-2-(Phosphonooxy)Propanoic Acid
null
null
null
BNOCDEBUFVJMQI-REOHCLBHSA-N
DB03114
EXPT00088
PAS219
null
null
null
YBEVTZVQKMYQPM-UHFFFAOYSA-N
DB03115
EXPT00634
5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
null
null
null
XXSSGBYXSKOLAM-QMMMGPOBSA-N
DB03116
EXPT02914
5-(1-Carboxy-1-Phosphonooxy-Ethoxyl)-Shikimate-3-Phosphate
null
null
null
QUQKBSPZUVNKIF-JQCUSGDOSA-N
DB03117
EXPT00110
2-carboxypropyl-coenzyme A
null
null
null
YLEVKEKTOJAHCY-UQCJFRAESA-N
DB03118
EXPT00006
(2Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-propen-1-one
null
null
1-(5-Chloroindol-3-YL)-3-hydroxy-3-(2H-tetrazol-5-YL)-propenone
LKVXXMOMTRBUQI-WCIBSUBMSA-N
DB03120
EXPT03125
p-Toluenesulfonic acid
104-15-4
QGV5ZG5741
4-toluenesulfonic acid | p-methylbenzenesulfonic acid | p-methylphenylsulfonic acid | p-toluenesulfonic acid | p-toluenesulphonic acid | p-tolylsulfonic acid | para-toluene sulfonate | toluene-4-sulfonic acid | Tosic acid | Tosylic acid
JOXIMZWYDAKGHI-UHFFFAOYSA-N
DB03121
EXPT01810
(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
59283-35-1
5JSR5TT2JJ
null
ZEKCBTQHDTUHRJ-UHFFFAOYSA-N
DB03124
EXPT00045
5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid
null
null
null
LBAHOXPDTNUYCX-INIZCTEOSA-N
DB03125
EXPT03114
2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium
null
null
null
IEDVJHCEMCRBQM-UHFFFAOYSA-O
DB03126
EXPT02204
Mant-Adp
null
null
null
QPKUEBLEGWBRHC-BFHYXJOUSA-N
DB03127
EXPT00669
Benzamidine
618-39-3
KUE3ZY3J1F
null
PXXJHWLDUBFPOL-UHFFFAOYSA-O
DB03128
EXPT00412
Acetylcholine
51-84-3
N9YNS0M02X
Acetylcholine | ACh | Choline acetate | O-Acetylcholine
OIPILFWXSMYKGL-UHFFFAOYSA-N
DB03129
EXPT02858
Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium
null
null
[3-(1,3,2-dioxaborolan-2-yloxy)propyl]guanidine
QHANCKHXGBJANE-UHFFFAOYSA-O
DB03130
EXPT01625
S-P-Nitrobenzyloxycarbonylglutathione
null
null
null
QYFGPQQSJQOGEO-TVJRNMROSA-N
DB03132
EXPT00770
3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid
null
Q071BHM3ZE
null
XBNHRNFODJOFRU-UHFFFAOYSA-N
DB03133
EXPT01871
2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole
null
null
null
XIJZORUYQZBFJK-UJPOAAIJSA-N
DB03134
EXPT02383
L-2-aminopimelic acid
26630-55-7
0603E10Z5S
(2S)-2-Aminoheptanedioic acid | (S)-2-aminoheptanedioic acid | 2-Aminopimelic acid | L-alpha-Aminopimelic acid | L-α-aminopimelic acid
JUQLUIFNNFIIKC-YFKPBYRVSA-N
DB03135
EXPT00020
[2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid
null
8Y97C7OS7S
null
NBAIGNUEKZLOMI-UHFFFAOYSA-N
DB03136
EXPT01360
4-Iodobenzo[B]Thiophene-2-Carboxamidine
null
null
null
YERQOXAYAFWFEJ-UHFFFAOYSA-O
DB03137
EXPT02704
8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine
null
null
null
RMOYVWKKOKERSW-UHFFFAOYSA-N
DB03138
EXPT02010
Perchlorate
14797-73-0
VLA4NZX2P4
Perchlorate Ion
VLTRZXGMWDSKGL-UHFFFAOYSA-M
DB03139
EXPT00692
6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid
null
null
null
CMUGHZFPFWNUQT-HUBLWGQQSA-N
DB03140
EXPT00208
4-Carboxyphenylboronic Acid
null
XQQ1T11DYK
null
SIAVMDKGVRXFAX-UHFFFAOYSA-N
DB03141
EXPT00690
3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril
null
null
null
UYUWNNRWESUYOB-FIRIVFDPSA-N
DB03142
EXPT00554 | DB02769
Alpha-L-Arabinose
null
R0L7IU6KYJ
null
HMFHBZSHGGEWLO-QMKXCQHVSA-N
DB03143
EXPT01376
Nonan-1-Ol
28473-21-4
NGK73Q6XMC
null
ZWRUINPWMLAQRD-UHFFFAOYSA-N
DB03144
EXPT01692
N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine
null
J2FGL272NZ
N-omega-hydroxy-L-arginine
FQWRAVYMZULPNK-BYPYZUCNSA-N
DB03145
EXPT03154
4-Methyl-5-Hydroxyethylthiazole Phosphate
null
null
null
OCYMERZCMYJQQO-UHFFFAOYSA-N
DB03146
EXPT02944 | EXPT02575 | DB02682
2-deazo-6-thiophosphate guanosine-5'-monophosphate
null
null
null
NYBPOGVUIOPXHI-KQYNXXCUSA-O
DB03147
EXPT01391
Flavin adenine dinucleotide
146-14-5
ZC44YTI8KK
Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine | adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate] | FAD | Flavin adenine dinucleotide | Flavin-Adenine Dinucleotide | Flavine adenine dinucleotide | Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine | Riboflavin 5'-adenosine diphosphate
VWWQXMAJTJZDQX-UYBVJOGSSA-N
DB03148
EXPT00533 | EXPT00363
Adenosine 5'-methylenediphosphate
3768-14-7
0T2A5439OE
Adenosine 5'-(hydrogen (phosphonomethyl)phosphonate) | Adenosine, 5'-(trihydrogen methylenebis(phosphonate)) | Phosphomethylphosphonic acid adenosyl ester
OLCWZBFDIYXLAA-IOSLPCCCSA-N
DB03150
EXPT00113
2',3'-Dideoxythymidine-5'-Monophosphate
null
R6VJB6HJ6Y
null
WVNRRNJFRREKAR-JGVFFNPUSA-N
DB03151
EXPT01060
mu4-sulfido-quadro-tetracopper
null
null
μ4-sulfido-quadro-tetracopper
IGIWMDIIFLPFOP-UHFFFAOYSA-N
DB03152
EXPT00687
B-2-Octylglucoside
null
null
null
BVHPDIWLWHHJPD-RKQHYHRCSA-N
DB03153
EXPT02643
3H-pyrazolo[4,3-d]pyrimidin-7-ol
null
UNA9YT8PYM
null
OGCXIHWGXUQTCQ-UHFFFAOYSA-N
DB03154
EXPT01463
{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid
null
null
null
VHKBLEYUHBIBNR-UHFFFAOYSA-N
DB03155
EXPT03185
2'-fluoro-2'-deoxyuridine 3'-monophosphate
null
null
null
IFIXUMAFUNKIAA-XVFCMESISA-N
DB03156
EXPT01175
beta-D-glucuronic acid
23018-83-9
00A9JB14O6
beta-D-Glucopyranuronic acid | GlcAb | GlcAβ | β-D-glucopyranuronic acid
AEMOLEFTQBMNLQ-QIUUJYRFSA-N
DB03157
EXPT01150
N,O-didansyl-L-tyrosine
null
null
null
LUBOPDUYHWABFG-NDEPHWFRSA-N
DB03158
EXPT00125
D-Myo-Inositol-1,4-Bisphosphate
47055-78-7
null
null
PELZSPZCXGTUMR-RTPHHQFDSA-N
DB03159
EXPT00282
CRA_8696
null
null
null
GAVRMVQHHVMXFD-UHFFFAOYSA-N
DB03160
EXPT01960
N-Pyridoxyl-7-Keto-8-Aminopelargonic Acid-5'-Monophosphate
null
null
null
YXEXNGWPUWJMIT-NSHDSACASA-N
DB03161
EXPT03034
Thymidine-5'-diphospho-beta-D-xylose
null
null
null
AJUADKZRQSBUAK-KDGZBOQCSA-N
DB03162
EXPT01550
4-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid
45654-48-6
null
null
FVZITYNLUYJDOE-UHFFFAOYSA-N
DB03163
EXPT01980
2-oxopropyl-CoM
null
null
2-(2-Oxopropylthio)ethanesulfonate | 2-[(2-Oxopropyl)sulfanyl]ethanesulfonic acid | 2-ketopropyl-CoM
CRNXHFXAXBWIRH-UHFFFAOYSA-N
DB03164
EXPT02082
6-amino-1-methyl-7H-purin-1-ium
null
98K2TG3E3W
6-amino-1-methylpurine
DYGBIJOMQSXREB-UHFFFAOYSA-O
DB03165
EXPT01154
2-Dimethylamino-Ethyl-Diphosphate
null
null
null
QGKJQRINUQGSJM-UHFFFAOYSA-N
DB03166
EXPT00423 | DB04184
Acetic acid
64-19-7
Q40Q9N063P
Acetic acid | Acetic acid, glacial | Aceticum acidum | acide acétique | ácido acético | Essigsäure | Ethanoat | Ethanoate | Ethanoic acid | Ethoic acid | Ethylic acid | Glacial acetic acid | HOAc | Methanecarboxylic acid | Vinegar
QTBSBXVTEAMEQO-UHFFFAOYSA-N
DB03167
EXPT02511
Pentabromophenol
608-71-9
V89A88NMMX
null
SVHOVVJFOWGYJO-UHFFFAOYSA-N
DB03168
EXPT02318
Nicotinamide adenine dinucleotide cyclohexanone
null
null
null
HTFHWJHTWKCYLR-RINXRSLZSA-N
DB03169
EXPT01758
(S)-Hmg-Coa
null
null
null
CABVTRNMFUVUDM-VRHQGPGLSA-I
DB03170
EXPT00980
Dephospho Coenzyme A
null
null
null
KDTSHFARGAKYJN-IBOSZNHHSA-N
DB03171
EXPT01918
Indole-3-Propanol Phosphate
null
KO9J17S3FI
null
NKEZSFZOUIIZFL-UHFFFAOYSA-N
DB03172
EXPT03017
Tubercidin
69-33-0
M351LCX45Y
7-deazaadenosine | Sparsomycin A | Tubercidine
HDZZVAMISRMYHH-KCGFPETGSA-N
DB03173
EXPT01012
CRA_10433
null
null
null
CFSQPEBVGUSQII-UHFFFAOYSA-N
DB03174
EXPT02628
Phosphonoacetaldehyde
null
VPZ8FR5BMZ
null
YEMKIGUKNDOZEG-UHFFFAOYSA-N
DB03175
EXPT02630
Propyl alcohol
71-23-8
96F264O9SV
1-propanol | 1-proponol | N-propanol | N-propyl alcohol | Propanol
BDERNNFJNOPAEC-UHFFFAOYSA-N
DB03176
EXPT01852
KB-141
219691-94-8
M5P363AFVC
3,5-dichloro-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid
OZYQIQVPUZANTM-UHFFFAOYSA-N
DB03177
EXPT00250
5-methylbenzimidazole
614-97-1
R56855UC8Y
5-methyl-1H-benzimidazole | 6-methyl-1H-benzimidazole
RWXZXCZBMQPOBF-UHFFFAOYSA-N
DB03178
EXPT02899
Guanosine-2',3'-cyclophosphorothioate
38557-85-6
null
null
QZEROIIFJLCOOE-FHIGPPGSSA-N
DB03179
EXPT02943
Sinapoyl coenzyme A
null
null
null
HJGDVDUGXUSOGA-ADTMLPBESA-N
DB03180
EXPT00037
4,5-Dimethyl-1,2-phenylenediamine
3171-45-7
1OJ9D3R6NH
4,5-Dimethyl-o-phenylenediamine
XSZYBMMYQCYIPC-UHFFFAOYSA-N
DB03181
EXPT02554
2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione
null
null
null
RXQAVKWRCZYGMV-UHFFFAOYSA-N
DB03182
EXPT01407
alpha-Fluoro-carboxymethyldethia coenzyme A complex
null
null
null
JYRBBNPCUSRRNJ-BHVPBDGNSA-N
DB03183
EXPT00243
1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
null
T6MC6N4LS7
null
FIEYZIRYXYDMSK-UHFFFAOYSA-N
DB03184
EXPT03249
5-Amino-3-Methyl-Pyrrolidine-2-Carboxylic Acid
null
null
null
ZELPFFKOULVLMW-UOWFLXDJSA-N
DB03185
EXPT00750
1-Beta-Ribofuranosyl-1,3-Diazepinone
null
null
null
MEPCJRCEYSZBDO-FNCVBFRFSA-N