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 ⌀ |
|---|---|---|---|---|---|---|
DB01789 | EXPT00430 | 1-Amino-2,3-Dihydroxy-5-Hydroxymethyl Cyclohex-5-Ene | null | null | null | BMZJPVSGERKRHP-ACZMJKKPSA-N |
DB01790 | EXPT02808 | EXPT02940 | (Rp)-cAMPS | null | null | (Rp)-adenosine-3',5'-cyclic monophosphorothioate | adenosine-3',5'-cyclic monophosphorothioate, Rp-isomer | Rp-cAMPS | SMPNJFHAPJOHPP-PUHOFUEYSA-N |
DB01791 | EXPT02600 | Piclamilast | 144035-83-6 | WM58D7C3ZT | 3-(cyclopentyloxy)-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide | 3-(cyclopentyloxy)-N-(3,5-dichloro-4-pyridyl)-p-anisamide | Piclamilast | Piclamilastum | RRRUXBQSQLKHEL-UHFFFAOYSA-N |
DB01792 | EXPT00547 | Adenylyl-(3'-5')-uridine 3'-monophosphate | 1985-21-3 | null | Adenylyl-(3'-5')-3'-uridylic acid | Adenylyl-3'-5'-phospho-uridine-3'-monophosphate | FZCSEXOMUJFOHQ-KPKSGTNCSA-N |
DB01793 | EXPT00277 | SB-409513 | null | null | I-5 | ONVZFCHLOZUXRP-UHFFFAOYSA-N |
DB01794 | EXPT02688 | bis(molybdopterin)tungsten cofactor | null | null | Tungstopterin | W-molybdopterin cofactor | TXTOFHXWJBZWPO-UHFFFAOYSA-F |
DB01795 | EXPT02505 | Phenylboronic acid | 98-80-6 | L12H7B02G5 | Benzeneboronic acid | Borophenylic acid | dihydroxy(phenyl)borane | Phenyldihydroxyborane | HXITXNWTGFUOAU-UHFFFAOYSA-N |
DB01796 | EXPT02391 | Quinolinic Acid | 89-00-9 | F6F0HK1URN | null | GJAWHXHKYYXBSV-UHFFFAOYSA-N |
DB01797 | EXPT01014 | (2R)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1H-imidazol-3-ium | null | null | null | IMYOMVNQPPPJHU-ZCFIWIBFSA-O |
DB01798 | EXPT02470 | Ethyl Dihydrogen Diphosphate | null | null | null | OJDJHGIXNZPZFD-UHFFFAOYSA-N |
DB01799 | EXPT01334 | 4-Hydroxy-3-Methyl Butyl Diphosphate | null | null | null | URURINNTPGGDIV-YFKPBYRVSA-N |
DB01800 | EXPT01034 | 4-Nitrocatechol sulfate | 10485-66-2 | HD9MHQ536A | 2-hydroxy-5-nitrophenyl hydrogen sulfate | 2-Hydroxy-5-nitrophenyl sulfate | p-Nitrocatechol sulfate | para-Nitrocatechol sulfate | XMCCOOONGGUOLA-UHFFFAOYSA-N |
DB01802 | EXPT00307 | (4R)-7-Aza-7,8-dihydrolimonene | null | null | null | LDFVYCXKPXXSNO-VIFPVBQESA-N |
DB01803 | EXPT01369 | 2-(Trimethylammonium)Ethyl Thiol | null | null | null | VFUGTBZQGUVGEX-UHFFFAOYSA-O |
DB01804 | EXPT00367 | 2-Ammoniobut-3-Enoate, 2-Amino-3-Butenoate | null | null | null | RQVLGLPAZTUBKX-GSVOUGTGSA-N |
DB01805 | EXPT02178 | Monoisopropylphosphorylserine | null | null | null | DALHHSOTZKMXMV-YFKPBYRVSA-N |
DB01806 | EXPT00481 | 10-decarboxymethylaclacinomycin A | null | null | DCMAA | OXPCRXLITLBLEY-ZVNFQBCFSA-N |
DB01807 | EXPT01987 | N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-(4-chlorophenyl)urea | null | null | null | XIWRCSVXKPGGAJ-UHFFFAOYSA-N |
DB01808 | EXPT01089 | Thiarsahydroxy-Cysteine | null | null | null | SHJQITKLZDPXCU-REOHCLBHSA-N |
DB01809 | EXPT02633 | 1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine | null | SA2ND7EHY4 | null | ZVPDNRVYHLRXLX-UHFFFAOYSA-N |
DB01810 | EXPT00058 | [1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester | null | null | null | NOXVWFAAXREWMI-GURWAVDKSA-N |
DB01811 | EXPT00174 | 3h-Indole-5,6-Diol | 3131-52-0 | Z3OC8499KG | null | SGNZYJXNUURYCH-UHFFFAOYSA-N |
DB01812 | EXPT00370 | Adenosine 3',5'-diphosphate | 1053-73-2 | C65F80D52U | 3'-Phosphoadenosine 5'-phosphate | 3',5'-ADP | Adenosine 3'-phosphate-5'-phosphate | Adenosine 3',5'-bismonophosphate | Phosphoadenosine phosphate | WHTCPDAXWFLDIH-KQYNXXCUSA-N |
DB01813 | EXPT02638 | EXPT02576 | Pyridoxyl-Glutamic Acid-5'-Monophosphate | null | null | null | JMRKOGDJNHPMHS-JTQLQIEISA-O |
DB01814 | EXPT02033 | 2-Tridecanoyloxy-Pentadecanoic Acid | null | null | null | WLKQLKMXKFGMQI-SANMLTNESA-N |
DB01815 | EXPT02041 | Nz-(Dicarboxymethyl)Lysine | null | null | null | XINFXVVRMYBFMI-YFKPBYRVSA-N |
DB01816 | EXPT01055 | Castanospermine | 79831-76-8 | Q0I3184XM7 | (1S-(1α,6β,7α,8β,8αβ))-octahydro-1,6,7,8-indolizinetetrol | (1S,6S,7R,8R,8aR)-1,6,7,8-tetrahydroxyindolizidine | 1,6,7,8-tetrahydroxyoctahydroindolizine | JDVVGAQPNNXQDW-TVNFTVLESA-N |
DB01817 | EXPT00445 | Threonine-Aspartic Ester | null | null | null | VCAYFLVMRCFGDV-MOJAZDJTSA-N |
DB01818 | EXPT02894 | O3-Sulfonylgalactose | null | null | null | HHRMGTRTCHNCRO-FDROIEKHSA-N |
DB01819 | EXPT02550 | Phosphoenolpyruvate | 138-08-9 | 545YL308OW | null | DTBNBXWJWCWCIK-UHFFFAOYSA-N |
DB01820 | EXPT00349 | 2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid | null | null | null | UESXELNYBIOROE-QHCPKHFHSA-N |
DB01821 | EXPT01252 | L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide | null | null | null | KUZKVXUOMSVPOA-BQBZGAKWSA-N |
DB01822 | EXPT01282 | (4R,5R)-1,2-dithiane-4,5-diol | 16096-98-3 | 3OED5PX4AN | D-4,5-Dihydroxy-1,2-dithiane | Dithiane Diol | YPGMOWHXEQDBBV-IMJSIDKUSA-N |
DB01823 | EXPT01612 | Beta-D-Glucopyranose Spirohydantoin | null | null | null | QRXBDPYWCAAAAI-UXDJRKLDSA-N |
DB01824 | EXPT00182 | (3S)-Tetrahydro-3-furanyl {(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate | null | null | null | BYWKHOXUUACYRY-RJAVELRTSA-N |
DB01825 | EXPT02114 | 2-amino-8-methyl-4(1H)-quinazolinone | 116836-27-2 | X6X2DD92TW | null | NLLZAHIPYDRNRQ-UHFFFAOYSA-N |
DB01826 | EXPT02302 | N-Butyl Isocyanide | 2769-64-4 | 2T7Q0CK9IF | null | FSBLVBBRXSCOKU-UHFFFAOYSA-N |
DB01827 | EXPT00667 | 2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide | null | null | null | JTXPTSGPUNTKSM-UHFFFAOYSA-N |
DB01828 | EXPT02363 | Methylamine | 74-89-5 | BSF23SJ79E | null | BAVYZALUXZFZLV-UHFFFAOYSA-N |
DB01829 | EXPT01129 | Desulfo-coenzyme A | 5863-40-1 | null | Coenzyme A, desulfo | Desulfo-coa | ILWZMFJBPIYQKW-IBOSZNHHSA-N |
DB01830 | EXPT00856 | AP-22408 | 268741-43-1 | 3U3L5QR4KV | null | SPSGYTWOIGAABK-DQEYMECFSA-N |
DB01831 | EXPT03138 | Tryptophanyl-5'amp | null | null | null | IFQVDHDRFCKAAW-SQIXAUHQSA-N |
DB01832 | EXPT01703 | 4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid | null | null | null | MZTALSPOBPYJPG-UHFFFAOYSA-N |
DB01833 | EXPT01587 | Canavanine | 543-38-4 | 3HZV514J4B | (L)-Canavanine | 2-Amino-4-(guanidinooxy)butyric acid | Canavanin | L-Canavanine | O-((Aminoiminomethyl)amino)-L-homoserine | FSBIGDSBMBYOPN-VKHMYHEASA-N |
DB01834 | EXPT01641 | (9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene | null | null | null | JNNIZILNBMPOAC-MOXQZVSFSA-N |
DB01835 | EXPT01816 | 4R-Fluoro-N6-ethanimidoyl-L-lysine | null | null | null | LTCJJIZTKXNFGK-BQBZGAKWSA-N |
DB01836 | EXPT03286 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | null | null | null | ZLAKCKVFSRSENR-UHFFFAOYSA-N |
DB01837 | EXPT02411 | O-acetyl-L-serine | 5147-00-2 | G05L7T7ZEQ | L-Serine, acetate (ester) | O3-acetyl-L-serine | VZXPDPZARILFQX-BYPYZUCNSA-N |
DB01838 | EXPT01439 | 6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone | null | 41L058NWH3 | null | GKDYOXMZSXVKPP-UHFFFAOYSA-N |
DB01839 | EXPT02572 | DB11078 | Propylene glycol | 57-55-6 | 6DC9Q167V3 | 1,2-dihydroxypropane | 1,2-Propanediol | 1,2-Propylenglykol | 2-hydroxypropanol | isopropylene glycol | methyl glycol | methylethyl glycol | methylethylene glycol | monopropylene glycol | Propane-1,2-diol | Propylene glycol | α-propyleneglycol | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
DB01840 | EXPT01100 | 2-Deoxy-D-Glucitol 6-(E)-Vinylhomophosphonate | null | null | null | CZQSGBWQBMZTMQ-AEVYZNAZSA-N |
DB01841 | EXPT01604 | 4,6-Dideoxyglucose | null | null | null | BJBURJZEESAQPG-MOJAZDJTSA-N |
DB01842 | EXPT02498 | 3'-Phosphate-Adenosine-5'-Diphosphate | null | null | null | GBBWIZKLHXYJOA-KQYNXXCUSA-N |
DB01843 | EXPT01596 | (5S,7R,8S,9S,10R)-3-Amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione | null | null | null | KLJXQBRQPPSXPZ-WWHASAIZSA-N |
DB01844 | EXPT01224 | N,N-dimethylformamide | 68-12-2 | 8696NH0Y2X | Dimethylformamide | N-Formyldimethylamine | N,N-Dimethylmethanamide | ZMXDDKWLCZADIW-UHFFFAOYSA-N |
DB01846 | EXPT00829 | Oxidized coenzyme A | null | null | null | HWMGJMKHOJKGLQ-IBOSZNHHSA-N |
DB01847 | EXPT00879 | N-Carbamyl-D-Valine | null | null | null | JDXMIYHOSFNZKO-SCSAIBSYSA-N |
DB01849 | EXPT01296 | Dihydrouracil | 504-07-4 | 016FR52RU5 | 2,4-Dioxotetrahydropyrimidine | 5,6-Dihydro-2,4-dihydroxypyrimidine | 5,6-dihydrouracil | Dihydro-2,4(1H,3H)-pyrimidinedione | Dihydrouracile | Hydrouracil | OIVLITBTBDPEFK-UHFFFAOYSA-N |
DB01850 | EXPT02162 | (2S,3S,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid | null | null | null | HJVCHYDYCYBBQX-AWKNMOFVSA-N |
DB01851 | EXPT03013 | Tetrabutylammonium Ion | 2052-49-5 | CBU2X6BBJR | null | DZLFLBLQUQXARW-UHFFFAOYSA-N |
DB01852 | EXPT01976 | Kaempherol | 520-18-3 | 731P2LE49E | null | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
DB01853 | EXPT00640 | Bacteriochlorophyll A | 17499-98-8 | null | Bacterio-chlorophyll A | DSJXIQQMORJERS-AGGZHOMASA-M |
DB01854 | EXPT00757 | 5-Bromonicotinamide | 28733-43-9 | FCT9J0CUP7 | null | YOQRXZIMSKLRCY-UHFFFAOYSA-N |
DB01855 | EXPT00682 | 5-(Hydroxy-Methyl-Amino)-3-Methyl-Pyrrolidine-2-Carboxylic Acid | null | null | null | PGYJBAGGGAUHGV-HSUXUTPPSA-N |
DB01856 | EXPT02618 | Pimelic Acid | 111-16-0 | BZQ96WX25F | null | WLJVNTCWHIRURA-UHFFFAOYSA-N |
DB01857 | EXPT00574 | DB03713 | DB04247 | Phosphoaspartate | null | null | null | IXZNKTPIYKDIGG-REOHCLBHSA-N |
DB01858 | EXPT01501 | [1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate | null | null | null | QTPYRNAKLBXKNP-SFHVURJKSA-N |
DB01859 | EXPT02978 | 4-CDP-2-C-methyl-D-erythritol 2-phosphate | 263016-95-1 | null | 2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol | HTJXTKBIUVFUAR-XHIBXCGHSA-N |
DB01860 | EXPT00163 | Cordycepin Triphosphate | 73-04-1 | 59P84ZU54H | null | NLIHPCYXRYQPSD-BAJZRUMYSA-N |
DB01861 | EXPT01669 | EXPT03198 | DB04355 | Uridine diphosphate glucose | 133-89-1 | V50K1D7P4Y | 5'-Diphosphoglucose | Co-galactoisomerase | Co-waldenase | Cogalactoisomerase | UDP-Glucose | UDPG | Uridine 5'-pyrophosphate glucose ester | Uridine-5'-Diphosphoglucose | HSCJRCZFDFQWRP-JZMIEXBBSA-N |
DB01862 | EXPT01924 | Isopropyl beta-D-thiogalactopyranoside | 367-93-1 | X73VV2246B | IPTG | isopropyl thiogalactoside | isopropyl β-D-1-thiogalactopyranoside | isopropyl β-D-thiogalactopyranoside | isopropyl β-D-thiogalactoside | isopropyl-β-D-thiogalactopyranoside | isopropyl-β-D-thiogalactoside | BPHPUYQFMNQIOC-NXRLNHOXSA-N |
DB01863 | EXPT01943 | DB03265 | Inositol 1,3,4,5-Tetrakisphosphate | null | XK67P86535 | null | CIPFCGZLFXVXBG-CNWJWELYSA-N |
DB01864 | EXPT01651 | 5'-Guanosine-Diphosphate-Monothiophosphate | 37589-80-3 | EJ7Q9D2M9D | gamma-Thio-GTP | GTP gamma S | Guanosine 5'-(gamma-S)triphosphate | guanosine 5'-[gamma-thio]triphosphate | Guanosine 5'-O-(3-thiotriphosphate) | XOFLBQFBSOEHOG-UUOKFMHZSA-N |
DB01865 | EXPT00597 | 3-(6-Aminopyridin-3-Yl)-N-Methyl-N-[(1-Methyl-1h-Indol-2-Yl)Methyl]Acrylamide | null | null | null | AKFPMLBVLWZSQX-CSKARUKUSA-N |
DB01866 | EXPT00095 | RU79256 | null | null | null | USNMCXDGQQVYSW-SSDOTTSWSA-N |
DB01868 | EXPT02767 | Glycyl-L-a-Aminopimelyl-E-(D-2-Aminoethyl)Phosphonate | null | null | null | DREJXTKPUGMERN-YUMQZZPRSA-M |
DB01870 | EXPT02092 | 1,4-dithio-alpha-D-glucopyranose | null | null | null | MUOMBPNNVXJUGT-QZABAPFNSA-N |
DB01871 | EXPT02989 | [1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester | null | null | null | OACUXIVGLLCILS-ZEQRLZLVSA-N |
DB01872 | EXPT02337 | 2-deoxy-2-acetamido-beta-D-galactose-4-sulfate | null | null | null | WHCJUIFHMJFEFZ-UIAUGNHASA-N |
DB01873 | EXPT01350 | Epothilone D | 189453-10-9 | T0358E0YUF | (-)-desoxyepothilone B | 12,13-desoxyepothilone B | Desoxyepothilone B | XOZIUKBZLSUILX-GIQCAXHBSA-N |
DB01874 | EXPT03077 | Tropinone | 532-24-1 | 2A8CC8KA5F | null | QQXLDOJGLXJCSE-KNVOCYPGSA-N |
DB01875 | EXPT00599 | 8-azaxanthine | 1468-26-4 | 97MRZ3ZY2U | Xanthazol | KVGVQTOQSNJTJI-UHFFFAOYSA-N |
DB01876 | EXPT00626 | Bis(5-Amidino-2-Benzimidazolyl)Methanone | null | null | null | VVVXDHROXQUONB-UHFFFAOYSA-N |
DB01877 | EXPT02941 | N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide | null | null | null | OJLWCTMBGWSVFC-JOYOIKCWSA-N |
DB01878 | EXPT00794 | Benzophenone | 119-61-9 | 701M4TTV9O | Benzophenone | Benzoylbenzene | Diphenyl ketone | Diphenylmethanone | α-oxodiphenylmethane | α-oxoditane | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
DB01879 | EXPT03011 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | null | null | null | JOAALZBSMWLOPQ-LJAQVGFWSA-N |
DB01880 | EXPT01188 | 3,4-Dihydroxycinnamic Acid | 331-39-5 | U2S3A33KVM | null | QAIPRVGONGVQAS-DUXPYHPUSA-N |
DB01881 | EXPT02229 | 2-Methylpentane-1,2,4-Triol | null | null | null | OMXLSJPESIOAGG-WDSKDSINSA-N |
DB01882 | EXPT02085 | (2s)-2-Amino-4-(Methylsulfanyl)-1-Pyridin-2-Ylbutane-1,1-Diol | null | null | null | JPZQHIBHGCCNKS-QMMMGPOBSA-N |
DB01883 | EXPT02874 | N-(Sulfanylacetyl)Tyrosylprolylmethioninamide | null | null | null | LNLWXWOYQHAKTD-ULQDDVLXSA-N |
DB01884 | EXPT00369 | 2-Amino-3-Methyl-1-Pyrrolidin-1-Yl-Butan-1-One | null | null | null | IHBAVXVTGLANPI-QMMMGPOBSA-N |
DB01885 | EXPT00035 | D-Galctopyranosyl-1-On | 15892-28-1 | null | null | PHOQVHQSTUBQQK-MGCNEYSASA-N |
DB01887 | EXPT00659 | N,N-[2,5-O-Dibenzyl-glucaryl]-DI-[1-amino-indan-2-OL] | null | null | Inhibitor BEA369 | HLBCBFBFJWGTFR-QKXNMUHCSA-N |
DB01888 | EXPT01046 | 4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide | null | null | null | MDIWBYRNTPTYQI-QAQDUYKDSA-N |
DB01889 | EXPT00580 | 16,17-Androstene-3-Ol | 7148-51-8 | 48K9VAM062 | null | KRVXMNNRSSQZJP-PHFHYRSDSA-N |
DB01890 | EXPT01003 | N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide | 86303-23-3 | 8A64ND3B39 | D-Gluconamide, N,N'-((((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)imino)di-3,1-propanediyl)bis- | Deoxy-bigchap | N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide | N,N'-((((3alpha,5beta,12alpha)-3,12-Dihydroxy-24-oxocholan-24-yl)imino)di-3,1-propandiyl)bis-D-gluconamide | OJSUWTDDXLCUFR-HGZMBBKESA-N |
DB01891 | EXPT01893 | Tl-3-093 | null | null | null | QLOIOASGERKBSU-NYVOZVTQSA-N |
DB01892 | EXPT01804 | Hyperforin | 11079-53-1 | RM741E34FP | Hiperforina | Hyperforine | IWBJJCOKGLUQIZ-HQKKAZOISA-N |
DB01893 | EXPT02305 | N6-Benzyl Adenosine-5'-Diphosphate | null | null | null | MRHGMAGSDAQUFH-LSCFUAHRSA-N |
DB01895 | EXPT00511 | Aspartyl-Adenosine-5'-Monophosphate | null | null | null | QPBSGQWTJLPZNF-VWJPMABRSA-N |
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