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
⌀ |
|---|---|---|---|---|---|---|
DB02109
|
EXPT01711
|
Hadacidin
|
689-13-4
|
BFO5P1010A
|
Hadacidine | N-formyl hydroxyaminoacetic acid | N-formyl-N- hydroxyaminoacetic acid | N-hydroxyformamidoacetic acid
|
URJHVPKUWOUENU-UHFFFAOYSA-N
|
DB02110
|
EXPT00984
|
Protoporphyrin Ix Containing Co
| null | null | null |
LUAOCUVKTZELFQ-RGGAHWMASA-N
|
DB02111
|
EXPT01545
|
3-hydroxyisoxazole-4-carboxylic acid
| null | null | null |
JLPHBZYAQYOJND-UHFFFAOYSA-N
|
DB02112
|
EXPT00320
|
Zk-806450
| null | null | null |
DZLGSWPXZYDHBD-UHFFFAOYSA-N
|
DB02113
|
EXPT00287
|
6-Methylpurine
|
2004-03-7
|
SEO6WX0OZG
| null |
SYMHUEFSSMBHJA-UHFFFAOYSA-N
|
DB02114
|
EXPT01936
|
Cumidine
|
99-88-7
|
0D54T7V7XL
|
4-(1-methylethyl)aniline | 4-Amino-1-isopropylbenzene | 4-Aminocumene | 4-Isopropylaniline | p-Cumidine | p-Isopropylaniline | para-isopropylaniline
|
LRTFPLFDLJYEKT-UHFFFAOYSA-N
|
DB02115
|
EXPT01311
|
Daidzin
|
552-66-9
|
4R2X91A5M5
|
7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one | Daidzein 7-glucoside | daidzein 7-O-beta-D-glucoside | Daidzein 7-O-glucoside | daidzein 7-O-β-D-glucoside | Daidzoside
|
KYQZWONCHDNPDP-QNDFHXLGSA-N
|
DB02116
|
EXPT02433
|
Olomoucine
|
101622-51-9
|
6A839B2HYS
| null |
GTVPOLSIJWJJNY-UHFFFAOYSA-N
|
DB02118
|
EXPT00996
|
CP-271485
|
35580-46-2
| null |
(6S)-4-Benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzothiazol-5-yl)-3-morpholinone
|
CIUMOGWIMXNXSQ-GOSISDBHSA-N
|
DB02119
|
EXPT01746
|
6-Hydroxymethyl-7,8-Dihydropterin
|
3672-03-5
|
B46L5LR2XM
| null |
CQQNNQTXUGLUEV-UHFFFAOYSA-N
|
DB02120
|
EXPT00413
|
6-Amino-4-Hydroxymethyl-Cyclohex-4-Ene-1,2,3-Triol
|
38231-86-6
| null | null |
XPHOBMULWMGEBA-VZFHVOOUSA-N
|
DB02121
|
EXPT00722
|
Butyramide
|
541-35-5
|
9J6OR937VR
| null |
DNSISZSEWVHGLH-UHFFFAOYSA-N
|
DB02122
|
EXPT01822
|
4-iodo-acetamido phenylboronic acid
| null | null | null |
LMHXPDZPXBIIEX-UHFFFAOYSA-N
|
DB02123
|
EXPT00909
|
Glycochenodeoxycholic Acid
|
640-79-9
|
451ZNJ667Y
| null |
GHCZAUBVMUEKKP-GYPHWSFCSA-N
|
DB02124
|
EXPT01743
|
(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid
| null | null | null |
XBTXTLKLSHACSS-WDSKDSINSA-N
|
DB02125
|
EXPT00435
|
Adamantanone
|
700-58-3
|
UI7W503L08
| null |
IYKFYARMMIESOX-SPJNRGJMSA-N
|
DB02126
|
EXPT00919
|
4-Carboxycinnamic Acid
| null | null | null |
HAEJSGLKJYIYTB-ZZXKWVIFSA-N
|
DB02127
|
EXPT01207
|
Diisopropyl methylphosphonate
|
1445-75-6
|
56V3OG5DC7
|
Diisopropyl methanephosphonate | Diisopropyl methylphosphonate | DIMP | Methylphosphonic acid bis(1-methylethyl)ester
|
WOAFDHWYKSOANX-UHFFFAOYSA-N
|
DB02128
|
EXPT02467
|
[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester
| null | null |
N-[(3S)-1-hydroxy-2-oxo-5-phenyl-3-pentanyl]-Nα-[(3-pyridinylmethoxy)carbonyl]-L-phenylalaninamide
|
QCUBCTPTNWPFBC-ZEQRLZLVSA-N
|
DB02129
|
EXPT01249
|
Dihydroorotic Acid
|
155-54-4
|
4LPL64ZNA5
| null |
UFIVEPVSAGBUSI-REOHCLBHSA-N
|
DB02130
|
EXPT03229
|
Vanillic acid
|
121-34-6
|
GM8Q3JM2Y8
|
4-Hydroxy-3-methoxybenzoic acid | VA
|
WKOLLVMJNQIZCI-UHFFFAOYSA-M
|
DB02131
|
EXPT01516
|
N-1-methylheptylformamide
| null | null |
(R)-(-)-2-Octyl isocyanate
|
YWFHDUFNGSJLTL-SECBINFHSA-N
|
DB02132
|
EXPT03287 | DB06424
|
Zenarestat
|
112733-06-9
|
180C9PJ8JT
|
Zenarestat
|
SXONDGSPUVNZLO-UHFFFAOYSA-N
|
DB02133
|
EXPT00935
|
Chlorophyll A
|
479-61-8
|
YF5Q9EJC8Y
| null |
ATNHDLDRLWWWCB-AENOIHSZSA-M
|
DB02134
|
EXPT03251
|
Xanthine
|
69-89-6
|
1AVZ07U9S7
| null |
LRFVTYWOQMYALW-UHFFFAOYSA-N
|
DB02135
|
EXPT03118
|
1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol
| null | null |
4-[2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]butyl dihydrogen phosphate
|
VBXZSBKAJFXURR-MRTMQBJTSA-N
|
DB02136
|
EXPT00887
|
Cephalosporin analog
| null | null | null |
PEUIVMLYMKXUBF-PULJXETJSA-N
|
DB02137
|
EXPT02517
|
Molybdenum cofactor
|
872689-63-9
|
EPP8L4V5E3
|
MoCO
|
HDAJUGGARUFROU-JSUDGWJLSA-J
|
DB02138
|
EXPT01324
|
Diethyl 4-Methylbenzylphosphonate
|
3762-25-2
|
KR7824QXJ2
| null |
QKGBKPZAXXBLJE-UHFFFAOYSA-N
|
DB02139
|
EXPT02738
|
(2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine
| null | null | null |
YDWPQZUWZDRRSE-AATRIKPKSA-N
|
DB02140
|
EXPT00812
|
N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide
| null | null | null |
ZPFPZRVOBBMZMP-SFHVURJKSA-N
|
DB02141
|
EXPT00205
|
S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea
| null | null | null |
FZWGDUUJDZCYJR-UHFFFAOYSA-N
|
DB02142
|
EXPT02621
|
Pyridoxamine-5'-Phosphate
|
529-96-4
|
Q05R77UO7P
|
Pyridoxamine phosphate
|
ZMJGSOSNSPKHNH-UHFFFAOYSA-N
|
DB02143
|
EXPT01853
|
1-hydroxy-2-isopropylguanidine
|
478806-77-8
| null |
1-hydroxy-2-propan-2-ylguanidine | N-isopropyl-N'-hydroxyguanidine
|
OITVEDMMUMUWTL-UHFFFAOYSA-N
|
DB02144
|
EXPT02597
|
1,2-diacyl-sn-glycero-3-phosphoinositol
| null | null | null |
PDLAMJKMOKWLAJ-OJERQSHOSA-M
|
DB02145
|
EXPT00068
|
Butyl alcohol
|
71-36-3
|
8PJ61P6TS3
|
1-butanol | Butan-1-ol | Butanol | N-butanol | N-butyl alcohol
|
LRHPLDYGYMQRHN-UHFFFAOYSA-N
|
DB02146
|
EXPT00579
|
Glutathione S-atrazine
|
24429-05-8
| null |
Atrazine glutathione conjugate
|
WDLCRTLULMGVMR-QWRGUYRKSA-N
|
DB02147
|
EXPT03213
|
Cyclo-Tetrametavanadate
| null | null | null |
ACTPEXQBEHJTBO-UHFFFAOYSA-N
|
DB02148
|
EXPT02881
|
3-Amino-4-Oxybenzyl-2-Butanone
| null | null | null |
ISLRAQPEXPIKDJ-NSHDSACASA-N
|
DB02151
|
EXPT02221
|
Methionine Phosphonate
| null | null | null |
XKCSXHUCPYVQIW-SCSAIBSYSA-N
|
DB02152
|
EXPT01983
|
K-252a
|
97161-97-2
|
IV7H45AM5B
| null |
KOZFSFOOLUUIGY-SOLYNIJKSA-N
|
DB02153
|
EXPT01040 | EXPT01032 | DB01769
|
3-sulfino-L-alanine
|
1115-65-7
|
56X032NVQL
|
(2R)-2-amino-3-sulfinopropanoic acid | 3-sulfinoalanine | 3-Sulphino-L-alanine | L-Cysteinesulfinic acid | S-Cysteinesulfinic acid | S-Sulfinocysteine
|
ADVPTQAUNPRNPO-REOHCLBHSA-N
|
DB02154
|
EXPT00654
|
2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid
| null | null | null |
FFYBYVPVYLMLAR-KBPBESRZSA-N
|
DB02155
|
EXPT00615
|
3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate
| null | null |
Balanol analog 8
|
XVLMXAUKCDSMMW-YXLARRHKSA-N
|
DB02156
|
EXPT02950
|
Sulfopyruvate
|
98022-26-5
|
8D5GA7PEG6
| null |
BUTHMSUEBYPMKJ-UHFFFAOYSA-N
|
DB02158
|
EXPT02247
|
(2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol
| null | null | null |
YLCQGEBEQIBOOJ-BOFBLULFSA-N
|
DB02159
|
EXPT02574
|
(R)-Propylene glycol
|
4254-14-2
|
602HN5L69H
|
R-1,2-propanediol
|
DNIAPMSPPWPWGF-GSVOUGTGSA-N
|
DB02160
|
EXPT01074
|
S-Butyryl-Cystein
| null | null | null |
QARMATOLSBVIJD-YFKPBYRVSA-N
|
DB02161
|
EXPT01792
|
Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester
| null | null | null |
ZTVIKZXZYLEVOL-LXTVHRRPSA-N
|
DB02162
|
EXPT00240
|
5'-O-(N-Ethyl-Sulfamoyl)Adenosine
| null | null | null |
ONCSLXAPOGUODU-WOUKDFQISA-N
|
DB02163
|
EXPT03265
|
2,5-Xylidine
|
95-78-3
|
XWK0W8DA04
| null |
VOWZNBNDMFLQGM-UHFFFAOYSA-N
|
DB02164
|
EXPT01464
|
N-sulfo-flavin mononucleotide
| null | null | null |
ZLPUGFBBLGQWBS-SCRDCRAPSA-N
|
DB02165
|
EXPT03289
|
Zinc trihydroxide
| null | null | null |
JKKHGFKPEJPPQG-UHFFFAOYSA-N
|
DB02166
|
EXPT02661
|
Propidium
|
36015-30-2
|
74NX23J96Y
| null |
ZDWVWKDAWBGPDN-UHFFFAOYSA-O
|
DB02167
|
EXPT02000
|
N,N-Dimethyl-L-Alanine
| null | null | null |
QCYOIFVBYZNUNW-BYPYZUCNSA-N
|
DB02168
|
EXPT00741
|
6-bromopurine
|
767-69-1
| null |
6-bromo-1H-purine
|
CTGFGRDVWBZYNB-UHFFFAOYSA-N
|
DB02169
|
EXPT02429
|
9,10-Deepithio-9,10-Didehydroacanthifolicin
|
78111-17-8
|
1W21G5Q4N2
| null |
QNDVLZJODHBUFM-WFXQOWMNSA-N
|
DB02170
|
EXPT02205
|
1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One
| null | null | null |
ZOHCDJRFYXKEQW-UHFFFAOYSA-N
|
DB02172
|
EXPT01205
|
2,5-Dideoxy-2,5-Imino-D-Glucitol
| null | null | null |
PFYHYHZGDNWFIF-BXKVDMCESA-N
|
DB02173
|
EXPT01165
|
Co(III)-(Deuteroporphyrin IX)
| null | null | null |
KHTDHHCCHPGKMR-RWRCOHKGSA-L
|
DB02174
|
EXPT01181
|
D-Glutamine
|
5959-95-5
|
63HB36CA2Y
|
(2R)-2-amino-4-carbamoylbutanoic acid | (2R)-2,5-diamino-5-oxopentanoic acid | (R)-2,5-diamino-5-oxopentanoic acid | D-2-Aminoglutaramic acid | D-Glutamin | D-Glutaminsäure-5-amid
|
ZDXPYRJPNDTMRX-GSVOUGTGSA-N
|
DB02175
|
EXPT02179
|
Malonic acid
|
141-82-2
|
9KX7ZMG0MK
|
Propanedioic acid
|
OFOBLEOULBTSOW-UHFFFAOYSA-N
|
DB02176
|
EXPT02104
|
Mercury Acetate Ion
| null | null | null |
QWSOAYZXYZDDPB-UHFFFAOYSA-M
|
DB02177
|
EXPT01986
|
1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine
| null | null | null |
GKGJFUXSTSUKPB-UHFFFAOYSA-N
|
DB02178
|
EXPT01801
|
Phenylacetaldehyde
|
122-78-1
|
U8J5PLW9MR
| null |
DTUQWGWMVIHBKE-UHFFFAOYSA-N
|
DB02179
|
EXPT02421
|
O-Trifluoromethylphenyl Anthranilic Acid
| null | null | null |
ONKHJNFXJDEMNQ-UHFFFAOYSA-N
|
DB02180
|
EXPT02264
|
Myristoyl-Coa
|
3130-72-1
| null | null |
DUAFKXOFBZQTQE-QSGBVPJFSA-N
|
DB02181
|
EXPT01184
|
2'-Deoxyguanosine-5'-Triphosphate
|
2564-35-4
|
8C2O37Y44Q
| null |
HAAZLUGHYHWQIW-KVQBGUIXSA-N
|
DB02182
|
EXPT01721
|
Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe)
| null | null | null |
BUYPFLNIJYEQJK-RGGAHWMASA-N
|
DB02183
|
EXPT00440
|
Adenosine-5'-ditungstate
| null | null | null |
OIACDJFRUAAXOT-UHFFFAOYSA-K
|
DB02184
|
EXPT01293
|
D-1,4-dithiothreitol
| null | null |
(2S,3S)-1,4-dimercaptobutane-2,3-diol | D-DTT | D-threo-1,4-dimercapto-2,3-butanediol
|
VHJLVAABSRFDPM-QWWZWVQMSA-N
|
DB02185
|
EXPT01700
|
2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One
| null | null | null |
GDNZNIJPBQATCZ-SECBINFHSA-N
|
DB02186
|
EXPT02335
|
N-acetyl-beta-D-galactosamine 6-sulfate
|
157296-99-6
| null |
2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-galactopyranose | N-Acetyl-D-galactosamine 6-sulfate | N-acetyl-β-D-galactosamine 6-sulfate | β-D-GalpNAc6S
|
WJFVEEAIYIOATH-JAJWTYFOSA-N
|
DB02187
|
EXPT01355
|
Equilin
|
474-86-2
|
08O86EX0J4
|
1,3,5,7-Estratetraen-3-ol-17-one | 7-Dehydroestrone | Dihydroequilenin | Equilin
|
WKRLQDKEXYKHJB-HFTRVMKXSA-N
|
DB02188
|
EXPT02216
|
N-Methylmesoporphyrin containing copper
| null | null |
3-[18-(2-Carboxyethyl)-7,12-diethyl-3,8,13,17,23-pentamethylporphyrin-21-id-2-yl]propanoic acid;copper(1+)
|
CTVHSHALRXJQNK-ZHZUXMKXSA-M
|
DB02189
|
EXPT01104
|
2',3'-Dideoxyadenosine triphosphate
|
24027-80-3
|
9MCI2H1EJ6
|
2',3'-DDATP | 2',3'-Dideoxy-ATP | 2',3'-dideoxyadenosine 5'-triphosphate | 2',3'-dideoxyadenosine triphosphate | DDATP | Dideoxyadenosine 5'-triphosphate
|
OAKPWEUQDVLTCN-NKWVEPMBSA-N
|
DB02190
|
EXPT02465
|
(S)-oxalosuccinic acid
| null | null | null |
UFSCUAXLTRFIDC-REOHCLBHSA-N
|
DB02191
|
EXPT01928
|
(7as,12ar,12bs)-1,2,3,4,7a,12,12a,12b-Octahydroindolo[2,3-a]Quinolizin-7(6h)-One
| null | null | null |
PGKUSHWBQJPFOP-LBPRGKRZSA-N
|
DB02192
|
EXPT02549
|
Phenylethyl alcohol
|
60-12-8
|
ML9LGA7468
|
2-phenylethanol | Benzeneethanol | Phenethyl alcohol | Phenylethanol | Phenylethyl alcohol
|
WRMNZCZEMHIOCP-UHFFFAOYSA-N
|
DB02194
|
EXPT01057
|
8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One
| null | null | null |
ULLMMKZQNNBLRN-SANMLTNESA-N
|
DB02195
|
EXPT01476
|
3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine
| null | null | null |
ZSMYZLKEZDYVPI-UHFFFAOYSA-N
|
DB02196
|
EXPT03169
|
Uridine-Diphosphate-N-Acetylgalactosamine
| null | null | null |
LFTYTUAZOPRMMI-NESSUJCYSA-N
|
DB02197
|
EXPT01717
|
4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide
| null |
K0O97QF441
| null |
NKORVPQBJCGYEC-UHFFFAOYSA-N
|
DB02198
|
EXPT00753
|
2-Bromoacetyl Group
|
79-08-3
|
2B3HS32431
| null |
KDPAWGWELVVRCH-UHFFFAOYSA-N
|
DB02199
|
EXPT01729
|
1,3-Dedimethyl-1,3-Divinyl Heme
| null | null | null |
QAAYYMOFLAXZMF-ZSQORRHCSA-N
|
DB02200
|
EXPT03232
|
3-[N-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene
| null | null | null |
VXIINIMESJGNGI-LQJZCPKCSA-N
|
DB02201
|
EXPT02183
|
Malonate Ion
| null |
4N2NU7R76L
| null |
OFOBLEOULBTSOW-UHFFFAOYSA-L
|
DB02202
|
EXPT00772
|
(S)-butane-1,3-diol
|
24621-61-2
| null |
(S)-(+)-Butane-1,3-diol
|
PUPZLCDOIYMWBV-BYPYZUCNSA-N
|
DB02203
|
EXPT00968
|
Acetone Cyanohydrin
|
75-86-5
|
CO1YOV1KFI
| null |
MWFMGBPGAXYFAR-UHFFFAOYSA-N
|
DB02205
|
EXPT00760
|
(+)-Rutamarin alcohol
|
14755-47-6
|
V0632559OD
|
(+)-Chalepin
|
JCDLLLXYAICSQV-INIZCTEOSA-N
|
DB02207
|
EXPT00314
|
7-Nitroindazole
|
2942-42-9
|
UX0N37CMVH
| null |
PQCAUHUKTBHUSA-UHFFFAOYSA-N
|
DB02209
|
EXPT02710
|
Pyridoxine phosphate
|
447-05-2
|
RG20W8WYLS
|
Pyridoxine 5-phosphate
|
WHOMFKWHIQZTHY-UHFFFAOYSA-N
|
DB02210
|
EXPT01731
|
Hexane-1,6-Diol
|
629-11-8
|
ZIA319275I
| null |
XXMIOPMDWAUFGU-UHFFFAOYSA-N
|
DB02211
|
EXPT02792
|
(R)-N-methyl-N-2-propynyl-1-indanamine
|
124192-87-6
|
1Y7XS87IZR
|
N-Methyl-N-propargyl-1(R)-aminoindan
|
CSVGVHNFFZWQJU-CYBMUJFWSA-N
|
DB02213
|
EXPT01541
|
Metanitrophenyl-Alpha-D-Galactoside
| null | null | null |
VCCMGHVCRFMITI-IIRVCBMXSA-N
|
DB02214
|
EXPT02766
|
6,7-dioxo-5H-8-ribitylaminolumazine
| null | null | null |
MIBROOURCUHKMD-RPDRRWSUSA-N
|
DB02215
|
EXPT01441
|
Furoyl-Leucine
| null | null | null |
LXBURZIESWDWIV-QMMMGPOBSA-N
|
DB02216
|
EXPT01076 | EXPT02919
|
S-Methylcysteine
|
1187-84-4
|
A34I1H07YM
| null |
IDIDJDIHTAOVLG-VKHMYHEASA-N
|
DB02217
|
EXPT01255
|
Dpb-T
| null | null | null |
WTZFKHNHHRPQOU-WSMBLCCSSA-N
|
DB02218
|
EXPT00405
|
N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside
| null | null | null |
RBZIIHWPZWOIDU-ZCGMLSCUSA-N
|
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