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
⌀ |
|---|---|---|---|---|---|---|
DB02325
|
EXPT01912 | DB04402
|
Isopropyl alcohol
|
67-63-0
|
ND2M416302
|
2-Propanol | Alcohol isopropílico | Isopropanol | Isopropyl alcohol
|
KFZMGEQAYNKOFK-UHFFFAOYSA-N
|
DB02326
|
EXPT01761 | DB07904
|
1-Hydroxyamine-2-Isobutylmalonic Acid
| null | null | null |
CINIOMOBGSHXRK-RXMQYKEDSA-N
|
DB02327
|
EXPT02598
|
Triethylene glycol
|
112-27-6
|
3P5SU53360
| null |
ZIBGPFATKBEMQZ-UHFFFAOYSA-N
|
DB02328
|
EXPT01727
|
2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid
| null | null | null |
VKWJKURKEYQKKW-ZCOJICPHSA-N
|
DB02329
|
EXPT00848
|
Carbenoxolone
|
5697-56-3
|
MM6384NG73
|
Carbenoxolona | Carbenoxolone
|
OBZHEBDUNPOCJG-WBXJDKIVSA-N
|
DB02331
|
EXPT00040
|
(2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid
| null | null | null |
YBULOUKTPCHXAL-DEOSSOPVSA-N
|
DB02332
|
EXPT01392
|
Flavin-N7 protonated-adenine dinucleotide
| null | null | null |
VWWQXMAJTJZDQX-UYBVJOGSSA-O
|
DB02333
|
EXPT01301
|
Deoxyuridine-5'-Triphosphate
| null | null | null |
AHCYMLUZIRLXAA-SHYZEUOFSA-N
|
DB02334
|
EXPT00192
|
(R)-2-Hydroxy-3-Sulfopropanoic Acid
| null | null | null |
CQQGIWJSICOUON-REOHCLBHSA-N
|
DB02335
|
EXPT00587
|
2-Aminothiazoline
|
1779-81-3
|
5JC2YZG56Q
| null |
REGFWZVTTFGQOJ-UHFFFAOYSA-N
|
DB02336
|
EXPT00328
|
RU83876
| null | null | null |
WCMLXBUNHNAMNH-UIOOFZCWSA-N
|
DB02337
|
EXPT00843
|
S-(D-Carboxybutyl)-L-Homocysteine
| null | null | null |
BMONDXDFXRPNKQ-ZETCQYMHSA-N
|
DB02338
|
EXPT02321
|
NADPH
|
53-57-6
|
381Q4X082D
|
Dihydronicotinamide-adenine dinucleotide phosphate | Reduced nicotinamide adenine dinucleotide phosphate | TPNH
|
ACFIXJIJDZMPPO-NNYOXOHSSA-N
|
DB02339
|
EXPT02742
|
Allyl-{6-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-Hexyl-}-Methyl-Amin
| null | null | null |
JYNZIOFUHBJABQ-UHFFFAOYSA-N
|
DB02340
|
EXPT02839
|
N-Acetyl-Serine
|
16354-58-8
|
W98518XGZ3
| null |
JJIHLJJYMXLCOY-BYPYZUCNSA-N
|
DB02341
|
EXPT02880
|
Mdl 101,146
|
149859-17-6
|
749Y52DBP2
| null |
XQAMVCHQGHAELT-YPAWHYETSA-N
|
DB02342
|
EXPT01362
|
2-Methoxyestradiol
|
362-07-2
|
6I2QW73SR5
|
2-Hydroxyestradiol 2-methyl ether | 2-Hydroxyestradol 2-methyl ether | 2-ME2 | 2-methoxy-17β-estradiol | 2-Methoxyestradiol-17beta | 2ME2
|
CQOQDQWUFQDJMK-SSTWWWIQSA-N
|
DB02343
|
EXPT02478
|
3,6,9,12,15-Pentaoxaheptadecane
|
4353-28-0
|
XO8API468S
| null |
HYDWALOBQJFOMS-UHFFFAOYSA-N
|
DB02345
|
EXPT01033
|
Selenocysteine
|
10236-58-5
|
0CH9049VIS
|
3-selenyl-L-alanine | L-selenocysteine | Selenium cysteine
|
ZKZBPNGNEQAJSX-REOHCLBHSA-N
|
DB02346
|
EXPT00139
|
3'-O-N-Octanoyl-a-D-Glucopyranosyl-B-D-Fructofuranoside
| null | null | null |
NMVDZWILYFXVBZ-PQJCEUABSA-N
|
DB02347
|
EXPT00578
|
2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid
| null | null | null |
AGSOOCUNMTYPSE-ZETCQYMHSA-N
|
DB02348
|
EXPT01478
|
Monofluorophosphate ion
|
15181-43-8
|
4964UZ79MI
|
Fluoridophosphate | Fluorophosphate | Phosphorofluoridate
|
DWYMPOCYEZONEA-UHFFFAOYSA-L
|
DB02349
|
EXPT02346
|
Nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline
| null | null | null |
RSVNLFPFYXGAGU-GIBQRGJUSA-O
|
DB02350
|
EXPT02193
|
N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
| null | null | null |
CYYCSKFJEOSZTF-CYBMUJFWSA-N
|
DB02352
|
EXPT00176
|
3-(Benzyloxy)Pyridin-2-Amine
| null |
IYW7T7718Z
| null |
NMCBWICNRJLKKM-UHFFFAOYSA-N
|
DB02353
|
EXPT01679
|
Heparin Disaccharide Iii-S
| null | null | null |
GSYQGRODWXMUOO-GYBHJADLSA-K
|
DB02354
|
EXPT02739
|
4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine
| null | null | null |
IRKPNOLLMNHSOU-UHFFFAOYSA-N
|
DB02355
|
EXPT03009
|
Adenosine-5'-Rp-Alpha-Thio-Triphosphate
| null | null | null |
ROYJKVPBJVNHCQ-AJBXOXQOSA-N
|
DB02356
|
EXPT01855
|
4-Imidazolmethylene-5-Imidazolone Chromophore
| null | null | null |
ZUHFMWFOPOTPRB-XVKPBYJWSA-N
|
DB02357
|
EXPT02145
|
Methyl-O3-(Alpha-D-Mannose)-Alpha-D-Mannose
| null | null | null |
WOKXHOIRHHAHDA-ZEEOCKJESA-N
|
DB02358
|
EXPT01992
|
LY374571
| null | null | null |
SZHRIPFGZWWRKW-VIFPVBQESA-N
|
DB02359
|
EXPT02697
|
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine
| null | null | null |
PPFZLLAIQRZNJE-UHFFFAOYSA-N
|
DB02360
|
EXPT01984
|
Bis-Napthyl Beta-Ketophosphonic Acid
| null | null | null |
OFHMUASCSJJNNA-JOCHJYFZSA-N
|
DB02361
|
EXPT02865
|
S-Methyl Thiocysteine Group
| null | null | null |
PYFNLWPQPNXHCS-VKHMYHEASA-N
|
DB02362
|
EXPT02486
|
Aminobenzoic acid
|
150-13-0
|
TL2TJE8QTX
|
1-Amino-4-carboxybenzene | 4-aminobenzoic acid | 4-Carboxyaniline | Aminobenzoic acid | p-Aminobenzoic acid | p-Carboxyaniline | p-Carboxyphenylamine | para-Aminobenzoic acid
|
ALYNCZNDIQEVRV-UHFFFAOYSA-N
|
DB02363
|
EXPT00588
|
2'-Monophosphoadenosine-5'-Diphosphate
| null | null | null |
YPTPYQSAVGGMFN-KQYNXXCUSA-N
|
DB02364
|
EXPT02876
|
2-Amino-3-(Diethoxy-Phosphoryloxy)-Propionic Acid
| null | null | null |
MOFCKRBDMJNCOC-LURJTMIESA-N
|
DB02365
|
EXPT02592
|
1,10-Phenanthroline
|
66-71-7
|
W4X6ZO7939
|
O-Phenanthroline
|
DGEZNRSVGBDHLK-UHFFFAOYSA-N
|
DB02366
|
EXPT00299
|
CRA_10762
| null | null | null |
RPGVMAPDADAHPV-UHFFFAOYSA-N
|
DB02367
|
EXPT00010
|
(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
| null | null | null |
ULDXUWXTVRRUND-SWLSCSKDSA-N
|
DB02368
|
EXPT02432
|
N-Acetyl-L-Citrulline
| null | null | null |
WMQMIOYQXNRROC-LURJTMIESA-N
|
DB02369
|
EXPT00160
|
3-Aza-2,3-Dihydrogeranyl Diphosphate
| null | null | null |
UWHNDWYDKGVRGE-UHFFFAOYSA-K
|
DB02370
|
EXPT02135
|
Nz-(1-Carboxyethyl)-Lysine
| null | null | null |
XCYPSOHOIAZISD-RQJHMYQMSA-N
|
DB02371
|
EXPT02328
|
2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid
|
7365-44-8
|
L173DK6289
| null |
JOCBASBOOFNAJA-UHFFFAOYSA-N
|
DB02372
|
EXPT03272
|
2,5-Dimethylpyrimidin-4-Amine
| null |
J1SE9T8ANX
| null |
UXKNAXNFIYFMIB-UHFFFAOYSA-N
|
DB02373
|
EXPT00516
|
Adenosine monotungstate
| null | null | null |
FJSJQPRHXPUMLC-LRDMJOKZSA-L
|
DB02374
|
EXPT03259
|
Xylose-Derived Imidazole
| null | null | null |
QMHSBFMMOLGPGR-NGJCXOISSA-N
|
DB02375
|
EXPT02265
|
Myricetin
|
529-44-2
|
76XC01FTOJ
|
3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one | 3,3',4',5,5',7-Hexahydroxyflavone | 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one | 3,5,7,3',4',5'-Hexahydroxyflavone | Cannabiscetin | MYC | Myricetin | Myricetol | Myricitin
|
IKMDFBPHZNJCSN-UHFFFAOYSA-N
|
DB02376
|
EXPT01630
|
D-gluconhydroximo-1,5-lactam
| null | null | null |
VBXHGXTYZGYTQG-SQOUGZDYSA-N
|
DB02377
|
EXPT01672
|
Guanine
|
73-40-5
|
5Z93L87A1R
| null |
UYTPUPDQBNUYGX-UHFFFAOYSA-N
|
DB02378
|
EXPT02196
|
MMI-175
| null | null | null |
QJAPFAZHNSZLJE-CWURXVSKSA-N
|
DB02379
|
EXPT00685 | EXPT00455 | EXPT01603
|
Beta-D-Glucose
|
492-61-5
|
J4R00M814D
|
beta-D-glucopyranose | Beta-D-glucose anhydrous | Beta-D-glucose, anhydrous | Glucoside | β-D-glucose
|
WQZGKKKJIJFFOK-VFUOTHLCSA-N
|
DB02380
|
EXPT00134
|
Deoxyinosine
|
890-38-0
|
HN0RQ6SBWQ
|
2'-deoxyinosine | 9-(2-deoxy-β-D-erythro-pentofuranosyl)-9H-purin-6-ol | Deoxyinosine
|
VGONTNSXDCQUGY-RRKCRQDMSA-N
|
DB02381
|
EXPT02371 | DB12913
|
nor-NOHA
|
189302-40-7
|
U0F1149OFR
|
(2S)-2-amino-4-(((hydroxyamino)iminomethyl)amino)butanoic acid | N-hydroxy-nor-arginine | N-hydroxy-nor-L-arginine | Nomega-Hydroxy-nor-L-arginine
|
KOBHCUDVWOTEKO-VKHMYHEASA-N
|
DB02382
|
EXPT02312
|
Namn
| null | null | null |
JOUIQRNQJGXQDC-ZYUZMQFOSA-N
|
DB02383
|
EXPT03082
|
Tolrestat
|
82964-04-3
|
0T93LG5NMK
|
Tolrestat
|
LUBHDINQXIHVLS-UHFFFAOYSA-N
|
DB02384
|
EXPT01432
|
(E)-2-Fluoro-P-Hydroxycinnamate
| null | null | null |
SBIZDOWXYPNTOJ-VMPITWQZSA-M
|
DB02385
|
EXPT02326
|
D-threo-neopterin
|
10162-32-0
|
26C7CRZ5LJ
|
D-monapterin | D-threo-monapterin | Monapterin | Neopterin D-threo-form
|
BMQYVXCPAOLZOK-INEUFUBQSA-N
|
DB02386
|
EXPT02610
|
Leucine Phosphonic Acid
| null | null | null |
HGCAUCAWEADMPM-RXMQYKEDSA-N
|
DB02388
|
EXPT00330
|
Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine
| null | null | null |
UQFRSHRWRKYNDE-UHFFFAOYSA-N
|
DB02390
|
EXPT01117
|
5-Bromo-N[2-(Dimethylamino)Ethyl]-9-Aminoacridine-4-Carboxamide
| null | null | null |
NROQPXQSDDINMC-UHFFFAOYSA-P
|
DB02391
|
EXPT01667
|
2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One
| null | null | null |
XYCDSKWPYZSIDU-UHFFFAOYSA-N
|
DB02393
|
EXPT01415
|
D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate
| null | null | null |
YBOWGOLYQKBCFB-JGWLITMVSA-N
|
DB02394
|
EXPT02443
|
Oxiranpseudoglucose
| null | null | null |
BDIDRHMZXLEMIZ-CXNFULCWSA-N
|
DB02395
|
EXPT01312
|
3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol
| null | null | null |
JCCDRCRHGKFTQS-UHFFFAOYSA-N
|
DB02396
|
EXPT01370
|
Methylethylamine
|
624-78-2
|
AE3IIW7JBO
| null |
LIWAQLJGPBVORC-UHFFFAOYSA-N
|
DB02397
|
EXPT03081
|
O-(N-acetyl-alpha-D-galactosaminyl)-L-serine
|
67262-86-6
| null |
Tn Antigen | α-D-GalNAc-Ser
|
REDMNGDGDYFZRE-WKWISIMFSA-N
|
DB02398
|
EXPT00091
|
6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine
| null | null | null |
NLBDETRVUYOIHQ-UHFFFAOYSA-N
|
DB02399
|
EXPT02796
|
L-Rhamnitol
|
488-28-8
|
IHI9UGC58P
|
(2S,3S,4S,5S)-hexane-1,2,3,4,5-pentol | 1-deoxy-L-mannitol | 6-deoxy-L-mannitol
|
SKCKOFZKJLZSFA-BXKVDMCESA-N
|
DB02400
|
EXPT00341
|
ES-936
|
192820-78-3
|
1XI90I177M
| null |
IBLWSLZYYZHSRG-UHFFFAOYSA-N
|
DB02401
|
EXPT02463
|
4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid
|
66313-36-8
| null | null |
IBRWUZLLHSXPKL-UHFFFAOYSA-N
|
DB02402
|
EXPT02228
|
5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine
| null | null | null |
CPZJZAIZIMCJRC-UHFFFAOYSA-N
|
DB02403
|
EXPT00067
|
2-Fluoroaniline
|
348-54-9
|
SE32ZK6617
| null |
FTZQXOJYPFINKJ-UHFFFAOYSA-N
|
DB02404
|
EXPT02540
|
1-Deoxy-1-Thio-Heptaethylene Glycol
| null | null | null |
ACMBXVJDKVNCGH-UHFFFAOYSA-N
|
DB02405
|
EXPT00749
|
12-Bromododecanoic Acid
|
73367-80-3
|
RP072ZQ00E
| null |
YYKBWYBUCFHYPR-UHFFFAOYSA-N
|
DB02406
|
EXPT02547 | DB04344
|
N-Valeric Acid
|
109-52-4
|
GZK92PJM7B
| null |
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
|
DB02407
|
EXPT00955
|
6-O-Cyclohexylmethyl Guanine
| null |
884MN6AR44
| null |
MWGXGTJJAOZBNW-UHFFFAOYSA-N
|
DB02408
|
EXPT02083
|
(3s)-3-Amino-1-(Cyclopropylamino)Heptane-2,2-Diol
| null | null | null |
AYBDGNNJGBFOBQ-VIFPVBQESA-N
|
DB02409
|
EXPT00106
|
(1r,4s)-2-Azabornane
| null | null | null |
OLTRGBMOWPXXIG-VXNVDRBHSA-N
|
DB02410
|
EXPT01790
|
2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide
| null | null | null |
GYRGKLZCJRVYRV-UHFFFAOYSA-O
|
DB02411
|
EXPT01696
|
2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2
| null | null | null |
HOUHLOFMBSYNBO-KKUQBAQOSA-N
|
DB02412
|
EXPT02719
|
Tetrahydropyran
|
142-68-7
|
V06I3ILG6B
| null |
DHXVGJBLRPWPCS-UHFFFAOYSA-N
|
DB02413
|
EXPT02417
|
Hydroxyethylcysteine
| null | null | null |
MWFRVMDVLYIXJF-BYPYZUCNSA-N
|
DB02414
|
EXPT00911
|
Cyclo(his-pro)
|
53109-32-3
|
Q10817UXVT
|
(3S,8aS)-3-(1H-Imidazol-4-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | cyclo(histidyl-prolyl) | cyclo(L-His-L-Pro) | Histidyl-proline diketopiperazine | Histidyl-proline-diketopiperazine
|
NAKUGCPAQTUSBE-IUCAKERBSA-N
|
DB02415
|
EXPT02420
|
N-Octyl-2-Hydroxyethyl Sulfoxide
| null | null | null |
IRJUEMKMQDEOTQ-CYBMUJFWSA-N
|
DB02416
|
EXPT02813
|
2-Ribofuranosyl-3-Iodo-2,3-Dihydro-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
| null | null | null |
IPMOTTQXPAXTMS-CKVFBBIQSA-N
|
DB02417
|
EXPT03018
|
2,4,6-Tribromophenol
|
118-79-6
|
YS6K3EU393
| null |
BSWWXRFVMJHFBN-UHFFFAOYSA-N
|
DB02418
|
EXPT00773
|
(R,R)-2,3-Butanediol
|
24347-58-8
|
F5IA8X9O8M
| null |
OWBTYPJTUOEWEK-ZXZARUISSA-N
|
DB02419
|
EXPT01313
|
Ethyl Oxo(Piperidin-1-Yl)Acetate
|
53074-96-7
|
D7IIF4X1TU
| null |
ASBDXHCMVYVJQQ-UHFFFAOYSA-N
|
DB02420
|
EXPT02051
|
[[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid,
| null | null | null |
RKILOCCSAVHHJT-UHFFFAOYSA-N
|
DB02421
|
EXPT03175
|
Uridine-5'-diphosphate-mannose
| null | null | null |
HSCJRCZFDFQWRP-NYYOCOOHSA-N
|
DB02422
|
EXPT02920
|
Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside
| null | null | null |
WAYOKHSZGNFKSX-ZEEOCKJESA-N
|
DB02423
|
EXPT02603
|
Thiopyrophosphate
|
68488-87-9
| null |
Trihydrogen thiodiphosphate
|
HWTUHTNZLQJJEV-UHFFFAOYSA-M
|
DB02424
|
EXPT01571
|
Geldanamycin
|
30562-34-6
|
Z3K3VJ16KU
| null |
QTQAWLPCGQOSGP-KSRBKZBZSA-N
|
DB02425
|
EXPT00974
|
Hexadecyl Octanoate
|
29710-31-4
|
418Q5V6PLJ
|
Caprylic acid, cetyl ester | Cetyl caprylate | Cetyl octanoate | Hexadecyl caprylate | Hexadecyl N-octanoate
|
IKYYXKWKFNBGJA-UHFFFAOYSA-N
|
DB02426
|
EXPT01071
|
Carboxyatractyloside
|
33286-30-5
|
PH9ATM6F5U
| null |
CYBVQIBJEFQVPD-GWDNDVLHSA-N
|
DB02427
|
EXPT00983
|
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
| null | null | null |
YBJANOUTWRTBDK-UHFFFAOYSA-N
|
DB02428
|
EXPT02730 | DB08452
|
Quinaldic Acid
|
93-10-7
|
P90NWT719R
| null |
LOAUVZALPPNFOQ-UHFFFAOYSA-N
|
DB02429
|
EXPT01895
|
4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide
| null | null | null |
IXDVPACDZDRCTN-UHFFFAOYSA-N
|
DB02430
|
EXPT02998
|
Trehalose-6-Phosphate
|
4484-88-2
| null | null |
LABSPYBHMPDTEL-LIZSDCNHSA-N
|
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