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 ⌀ |
|---|---|---|---|---|---|---|
DB02972 | EXPT02626 | 1-Benzyl-(R)-Propylamine | null | 6TJ3786QZV | null | IOLQWLOHKZENDW-JTQLQIEISA-N |
DB02973 | EXPT00008 | 4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide | null | null | null | BWTHJLODYBOEIY-VHEBQXMUSA-N |
DB02974 | EXPT01008 | 4-(4-Chlorophenyl)Imidazole | null | null | null | DVKIFCXVRCGAEE-UHFFFAOYSA-N |
DB02975 | EXPT01578 | GE-2270A | 134861-34-0 | JB4J58L2K1 | null | JMDULECOHIXMNX-MZHFYNGJSA-N |
DB02976 | EXPT03197 | Uridine-5'-diphosphate-2-deoxy-2-fluorogalactose | null | null | null | NGTCPFGWXMBZEP-KBQKSTHMSA-N |
DB02977 | EXPT03015 | PNU177836 | null | null | null | WVFJFYADATXBBE-JIFQQKSFSA-N |
DB02978 | EXPT01755 | Beta-Hydroxyleucine | null | null | null | ZAYJDMWJYCTABM-WHFBIAKZSA-N |
DB02979 | EXPT02394 | N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane | null | null | null | IOKDMHHZKWLWKO-UHFFFAOYSA-N |
DB02980 | EXPT03057 | Thymidine-5'-(dithio)phosphate | null | null | null | KMPXQZWMYQHTNT-XLPZGREQSA-N |
DB02981 | EXPT02715 | Vitamin B6 Complexed with 2-Amino-Hexanoic Acid | null | null | null | NHVFCSUYJRWFNW-LBPRGKRZSA-N |
DB02982 | EXPT00738 | Bombykol | null | LZT8R8TVZ7 | null | CIVIWCVVOFNUST-SCFJQAPRSA-N |
DB02983 | EXPT02614 | Para-Mercury-Benzenesulfonic Acid | null | null | null | KQAOIKIZSJJTII-UHFFFAOYSA-N |
DB02984 | EXPT02240 | 4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline | null | null | null | FUSDVOSGGMBSMK-UHFFFAOYSA-N |
DB02985 | EXPT00334 | 8-iodo-guanine | null | null | null | SXGFECRAKVVEJT-UHFFFAOYSA-N |
DB02986 | EXPT03089 | N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide | null | null | null | STOTVDLYLKWVJB-UHFFFAOYSA-N |
DB02987 | EXPT03271 | Cysteine-S-acetamide | 17528-66-4 | LAH55Q7GIH | S-(Carbamoylmethyl)cysteine | S-Carbamidomethylcysteine | VFKYKPOTSJWPIU-VKHMYHEASA-N |
DB02988 | EXPT01942 | Imino-Tryptophan | null | null | null | LKYWXXAVLLVJAS-XFXZXTDPSA-N |
DB02989 | EXPT00346 | CRA_10972 | null | null | null | RTSLVPMQUZXPBZ-UHFFFAOYSA-N |
DB02990 | EXPT03058 | S-(2-Acetamidoethyl) hexadecanethioate | null | null | C16-fatty-acyl-substrate-mimic | S-palmitoyl-N-acetylcysteamine | GDVZALUOXPTSHD-UHFFFAOYSA-N |
DB02991 | EXPT03044 | S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea | null | null | null | LCMOXIFARISMOH-UHFFFAOYSA-N |
DB02992 | EXPT01682 | 1-Deoxy-6-O-Phosphono-1-[(Phosphonomethyl)Amino]-L-Threo-Hexitol | null | null | null | YAEYOLVKVWEHNB-DBRKOABJSA-N |
DB02993 | EXPT02210 | 8-Methyl-9-Oxoguanine | null | null | null | NEKSCFHMQPOHBF-UHFFFAOYSA-N |
DB02994 | EXPT00823 | Cacodylic acid | 75-60-5 | AJ2HL7EU8K | Dimethylarsenic acid | Dimethylarsinic acid | Hydroxydimethylarsine oxide | OGGXGZAMXPVRFZ-UHFFFAOYSA-N |
DB02995 | EXPT01690 | Cyclohexylammonium Ion | null | null | null | PAFZNILMFXTMIY-UHFFFAOYSA-O |
DB02996 | EXPT02916 | 2-(Thiomethylene)-4-Methylpentanoic Acid | null | null | null | GCTDRFXPPSVRRP-ZCFIWIBFSA-N |
DB02998 | EXPT02741 | Metribolone | 965-93-5 | 2C323EGI97 | 17-beta-Hydroxy-17-methylestra-4,9,11-trien-3-one | 17alpha-Methyltrienolone | Methyltrienolone | Metribolona | Metribolone | Metribolonum | CCCIJQPRIXGQOE-XWSJACJDSA-N |
DB02999 | EXPT02735 | Quisqualic acid | 52809-07-1 | 8OC22C1B99 | Quisqualate | ASNFTDCKZKHJSW-REOHCLBHSA-N |
DB03000 | EXPT00545 | S-9-(2-hydroxypropyl)adenine | 14047-27-9 | null | 9-Hydroxypropyladenine, S-Isomer | MJZYTEBKXLVLMY-YFKPBYRVSA-N |
DB03001 | EXPT02596 | Peridinin | 33281-81-1 | null | null | UYRDHEJRPVSJFM-VSWVFQEASA-N |
DB03002 | EXPT01906 | p-Iodophenol | 540-38-5 | BH194BAK0B | 4-iodophenol | VSMDINRNYYEDRN-UHFFFAOYSA-N |
DB03003 | EXPT01662 | Glutathione sulfonic acid | 3773-07-7 | ZU672FB3GH | null | QGWRMTHFAZVWAM-WDSKDSINSA-N |
DB03004 | EXPT00419 | (2S)-2-amino-6-[[(3R,4R)-1-[(1S)-1-carboxy-2-[(S)-methylsulfinyl]ethyl]-2-oxo-4-sulfanylazetidin-3-yl]amino]-6-oxohexanoic acid | null | null | null | UFLVUEXXBDLOEJ-QUNHDKFLSA-N |
DB03005 | EXPT03147 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | null | null | null | ISUOMOOYAOQQPZ-UHFFFAOYSA-O |
DB03006 | EXPT00575 | Arsanilic acid | 98-50-0 | UDX9AKS7GM | (p-aminophenyl)arsonic acid | 4-aminobenzenearsonic acid | 4-Aminophenylarsonic acid | 4-Aminophenylarsonsäure | 4-arsanilic acid | Arsanilic acid | Arsanilsäure | atoxylic acid | p-arsanilic acid | XKNKHVGWJDPIRJ-UHFFFAOYSA-N |
DB03007 | EXPT02441 | 9r,13r-Opda | null | null | null | PMTMAFAPLCGXGK-HZPDHXFCSA-N |
DB03008 | EXPT01670 | 5-fluoro-beta-L-gulosyl fluoride | null | null | null | MGHYRMVVRYCAON-NURPGYHYSA-N |
DB03009 | EXPT00609 | 2-{[2-Oxo-2-(1-piperidinyl)ethyl]sulfanyl}-6-(trifluoromethyl)-4(1H)-pyrimidinone | null | null | null | UDBHGUOSOKOIAX-UHFFFAOYSA-N |
DB03010 | EXPT01349 | Patupilone | 152044-54-7 | UEC0H0URSE | (−)-epothilone B | Epo B | Epothilone B | patupilona | Patupilone | QXRSDHAAWVKZLJ-PVYNADRNSA-N |
DB03011 | EXPT00438 | Adenosine-5'-(Dithio)Phosphate | null | 9WPM6R7Z7Q | null | RPDDEEQJNPPYRG-CPTYKQRNSA-N |
DB03012 | EXPT01063 | Phenylalanine-N-Sulfonamide | null | null | null | PHGMHLLGXKQIDY-QMMMGPOBSA-N |
DB03013 | EXPT00851 | N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine | 35061-50-8 | null | Chitodextrin | β-D-GlcNAc-(1→4)-β-D-GlcNAc | β-D-GlcpNAc-(1→4)-β-D-GlcpNAc | βGlcNAc(1→4)βGlcNAc | CDOJPCSDOXYJJF-KSKNGZLJSA-N |
DB03015 | EXPT02660 | 6-hydroxy-1,6-dihydro purine nucleoside | null | null | null | WGRXVKRHIMUTPD-YOHZANMFSA-O |
DB03016 | EXPT00317 | CRA_1801 | null | null | null | FQCDQFDJHSXQKY-UHFFFAOYSA-N |
DB03017 | EXPT01112 | EXPT02006 | Lauric acid | 143-07-7 | 1160N9NU9U | 1-undecanecarboxylic acid | ABL | C12 fatty acid | C12:0 | Coconut oil fatty acids | DAO | Dodecanoic acid | Dodecoic acid | Dodecylcarboxylate | Dodecylic acid | Duodecyclic acid | Duodecylic acid | Laurinsäure | Laurostearic acid | n-dodecanoic acid | Undecane-1-carboxylic acid | Vulvic acid | POULHZVOKOAJMA-UHFFFAOYSA-N |
DB03018 | EXPT00155 | 3,4-dimethylaniline | 95-64-7 | R27I33AIDT | 1-amino-3,4-dimethylbenzene | 3,4-dimethylaminobenzene | 3,4-dimethylbenzenamine | 3,4-dimethylbenzene-1-amine | 3,4-dimethylbenzeneamine | 3,4-dimethylphenylamine | 3,4-xylidine | 3,4-xylylamine | 4-amino-1,2-dimethylbenzene | 4-amino-o-xylene | DOLQYFPDPKPQSS-UHFFFAOYSA-N |
DB03019 | EXPT00924 | 4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine | null | null | null | PAPYICJQRHSQGK-UHFFFAOYSA-N |
DB03020 | EXPT00966 | 5-beta-D-ribofuranosylnicotinamide adenine dinucleotide | null | null | null | UINNILASBHZOTM-KMXXXSRASA-N |
DB03021 | EXPT03182 | Ulapualide A | null | null | null | DIOFXPZEAVIPDB-GSMFZUCRSA-N |
DB03022 | EXPT02990 | 3-[2,6,8-Trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]propyl dihydrogen phosphate | null | null | null | KPHFGOGGKPGLTM-BHNWBGBOSA-N |
DB03023 | EXPT02634 | 1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine | null | null | null | PBBRWFOVCUAONR-UHFFFAOYSA-O |
DB03024 | EXPT01750 | 2-Methyl-3-(2-Aminothiazolo)Propanal | null | null | null | KFMAJVLZSDMFBV-YFKPBYRVSA-N |
DB03025 | EXPT00184 | (S)-oct-1-en-3-ol | 24587-53-9 | 07D31239FH | (S)-(+)-1-Octen-3-ol | VSMOENVRRABVKN-MRVPVSSYSA-N |
DB03026 | EXPT02570 | Phosphoglycolohydroxamic Acid | 51528-59-7 | J5JKF7VX5A | null | BAXHHWZKQZIJID-UHFFFAOYSA-N |
DB03028 | EXPT03110 | 1h-Benoximidazole-2-Carboxylic Acid | null | C59S3E32RV | null | RHXSYTACTOMVLJ-UHFFFAOYSA-N |
DB03030 | EXPT00269 | 4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole | null | null | null | UMOFOLLUKPBVQG-UHFFFAOYSA-N |
DB03031 | EXPT01276 | Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Octyl-Amide | null | null | null | FZFMMSSQQXCBGM-HTNXFJBJSA-N |
DB03032 | EXPT01665 | S-octylglutathione | null | null | L-γ-Glutamyl-S-octyl-D-cysteinylglycine | MJWCZWAVSJZQNL-KBPBESRZSA-N |
DB03033 | EXPT02236 | 4-methoxybenzenesulfinate | null | null | 1-methyloxy-4-sulfone-benzene | YVZWQPOTHRMEQW-UHFFFAOYSA-M |
DB03034 | EXPT03256 | D-Levofloxacin | 100986-86-5 | 36OPE0O92Z | D-Ofloxacin | R-Ofloxacin | GSDSWSVVBLHKDQ-SNVBAGLBSA-N |
DB03035 | EXPT01762 | 1,8-Di-Hydroxy-4-Nitro-Anthraquinone | null | null | null | RIYCICFDXLNQPV-UHFFFAOYSA-N |
DB03037 | EXPT02410 | Oxidized Acetyl Dithranol | null | null | null | IKFRFGXQHSBCQM-UHFFFAOYSA-N |
DB03038 | EXPT02074 | LY341770 | null | null | null | MXAFDBCLWLMXSI-ZDUSSCGKSA-N |
DB03039 | EXPT01900 | 4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide | null | null | null | KEGUALXMKQVDIO-UHFFFAOYSA-N |
DB03040 | EXPT02390 | Nitrilotriacetic acid | 139-13-9 | KA90006V9D | nitrilo-2,2',2''-triacetic acid | Nitrilotriacetate | Triglycine | Triglycollamic acid | α,α',α''-trimethylaminetricarboxylic acid | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
DB03041 | EXPT03177 | UDP-alpha-D-glucuronic acid | 2616-64-0 | 04SZC4MEFQ | UDP-alpha-D-glucuronate | UDP-D-glucuronate | UDP-glucuronate | UDP-Glucuronic Acid | UDPglucuronate | uridine diphosphate glucuronic acid | Uridine-5'-diphosphate-glucuronic acid | HDYANYHVCAPMJV-LXQIFKJMSA-N |
DB03042 | EXPT02485 | 5-Phosphoarabinonic Acid | null | null | null | HNECGPFIYSOYHF-JJYYJPOSSA-N |
DB03043 | EXPT00092 | (S)-2-Amino-3-(6h-Selenolo[2,3-B]-Pyrrol-4-Yl)-Propionic Acid | null | null | null | MXAFHQSEFHIRDF-ZETCQYMHSA-N |
DB03044 | EXPT00616 | Doramapimod | 285983-48-4 | HO1A8B3YVV | Doramapimod | MVCOAUNKQVWQHZ-UHFFFAOYSA-N |
DB03045 | EXPT00046 | Pantothenyl-Aminoethanol-Acetate Pivalic Acid | null | null | null | MILJVOHYMMUVQM-AWEZNQCLSA-N |
DB03046 | EXPT03180 | 7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide | null | null | null | KQUXAFOLFXHVQN-UHFFFAOYSA-N |
DB03047 | EXPT01352 | L-Alpha-Phosphatidyl-Beta-Oleoyl-Gamma-Palmitoyl-Phosphatidylethanolamine | null | null | null | MABRTXOVHMDVAT-AAEGOEIASA-N |
DB03048 | EXPT03164 | 6-Carboxymethyluracil | null | EF762EX2DY | null | NQAUNZZEYKWTHM-UHFFFAOYSA-N |
DB03049 | EXPT01043 | S-Selanyl Cysteine | null | null | null | KRUPEGHZMWTFPP-REOHCLBHSA-N |
DB03051 | EXPT03042 | (S)-2-Tetrahydrofuroic acid | 87392-05-0 | 7396HFQ44J | (2R)-Tetrahydro-2-furancarboxylic acid | (R)-(+)-Tetrahydro-2-furoic acid | (R)-Tetrahydrofuran-2-carboxylic acid | (S)-(-)-2-Tetrahydrofuroic acid | UJJLJRQIPMGXEZ-SCSAIBSYSA-N |
DB03052 | EXPT03297 | Dazoxiben | 78218-09-4 | 09ZFC7974Q | Dazoxiben | Dazoxibene | Dazoxibenum | XQGZSYKGWHUSDH-UHFFFAOYSA-N |
DB03053 | EXPT02186 | 1-Aminocyclopropylphosphonate | null | null | null | WKCJTSHOKDLADL-UHFFFAOYSA-M |
DB03054 | EXPT02127 | Bromoform | 75-25-2 | TUT9J99IMU | Tribrommethan | Tribromomethane | DIKBFYAXUHHXCS-UHFFFAOYSA-N |
DB03056 | EXPT00227 | 4-Piperidino-Piperidine | null | WBP6BM27HP | null | QDVBKXJMLILLLB-UHFFFAOYSA-N |
DB03057 | EXPT02141 | Malonaldehyde | 542-78-9 | 4Y8F71G49Q | Malondialdehyde | Malonic aldehyde | Malonic dialdehyde | Malonodialdehyde | WSMYVTOQOOLQHP-UHFFFAOYSA-N |
DB03058 | EXPT02934 | 2-Aminobenzyl alcohol | 5344-90-1 | JK3AH3NG9C | 2-Aminobenzenemethanol | 2-Aminobenzyl alcohol | o-(Hydroxymethyl)aniline | o-Aminobenzyl alcohol | o-Aminobenzylic alcohol | VYFOAVADNIHPTR-UHFFFAOYSA-N |
DB03059 | EXPT00820 | Acetoacetyl-CoA | 1420-36-6 | null | 3-Acetoacetyl-CoA | Acetoacetyl coenzyme A | Acetoacetyl-Coenzyme A | S-acetoacetyl-CoA | S-Acetoacetyl-coenzym A | S-acetoacetyl-coenzyme A | OJFDKHTZOUZBOS-CITAKDKDSA-N |
DB03060 | EXPT02032 | Sri-9662 | null | null | null | WNDJHUNKXPAREB-PLNGDYQASA-N |
DB03061 | EXPT02365 | (R)-N-(1-Methyl-Hexyl)-Formamide | null | null | null | GFVRKPKAQHTAQK-QMMMGPOBSA-N |
DB03062 | EXPT02748 | (1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone | null | null | null | VZBQJKIOAOUYJL-UHFFFAOYSA-N |
DB03063 | EXPT01332 | N-[(2S,3S)-4-[2-[(5S)-3a,4,5,6,7,7a-Hexahydro-1,3-benzodioxol-5-yl]ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3,5-dimethoxy-4-phenylmethoxybenzamide | null | null | null | PJQGNNQTZMYXOB-HAMMGQCISA-N |
DB03064 | EXPT01195 | 3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline | null | null | null | LXIDJQZEXUQBGG-UHFFFAOYSA-N |
DB03065 | EXPT00312 | 7-Nitroindazole-2-Carboxamidine | null | null | null | GFYAZUABYOOPCN-UHFFFAOYSA-N |
DB03066 | EXPT01215 | D-Lactic acid | 10326-41-7 | 3Q6M5SET7W | (−)-lactic acid | (R)-(−)-lactic acid | (R)-lactic acid | D-2-Hydroxypropanoic acid | D-2-Hydroxypropionic acid | D-Milchsäure | JVTAAEKCZFNVCJ-UWTATZPHSA-N |
DB03067 | EXPT00062 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | null | null | null | VFYAZSTYKPFSFL-UHFFFAOYSA-N |
DB03068 | EXPT03280 | Zebularine | 3690-10-6 | 7A9Y5SX0GY | 1-beta-D-ribofuranosyl-2(1H)-pyrimidinone | 1-beta-D-ribofuranosylpyrimidin-2(1H)-one | 4-deoxyuridine | Pyrimidin-2-one beta-D-ribofuranoside | pyrimidin-2-one beta-ribofuranoside | Pyrimidin-2-one ribonucleoside | RPQZTTQVRYEKCR-WCTZXXKLSA-N |
DB03069 | EXPT01072 | Cytidine-5'-diphospho-beta-D-xylose | null | null | null | NWSKPSPTJOAICE-OCIMBMBZSA-N |
DB03070 | EXPT02840 | Selenazole-4-carboxyamide-adenine dinucleotide | null | null | null | SKNBJMQZTZPCPF-QZTLEVGFSA-N |
DB03071 | EXPT02146 | 4-Methylidene-5-One | null | null | null | GYCBVEGTLQBIBF-BYPYZUCNSA-N |
DB03072 | EXPT01494 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | null | null | null | LOFDUAJQRUYHBR-UHFFFAOYSA-N |
DB03073 | EXPT00177 | 3-Methoxybenzamide | 5813-86-5 | M8502TLK98 | m-Anisamide | m-Methoxybenzamide | VKPLPDIMEREJJF-UHFFFAOYSA-N |
DB03074 | EXPT02651 | 7-cyano-7-deazaguanine | null | null | 7-CN-7-deazaG | 7-Cyano-7-carbaguanine | FMKSMYDYKXQYRV-UHFFFAOYSA-N |
DB03075 | EXPT02642 | (Diphosphono)Aminophosphonic Acid | null | null | null | PELPUMGXMYVGSQ-UHFFFAOYSA-N |
DB03076 | EXPT02360 | 3-[[(3R,4S,5S,6R)-7-Benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl]-N-methylbenzamide | null | null | null | CGBDAHCDSVOMCF-FYZVQMPESA-N |
DB03077 | EXPT02049 | 3-Amino-4-{3-[2-(2-Propoxy-Ethoxy)-Ethoxy]-Propylamino}-Cyclobut-3-Ene-1,2-Dione | null | null | null | ZUVPNXOKAPTNLU-UHFFFAOYSA-N |
DB03078 | EXPT02673 | PASBN | null | null | null | PWDTUFYQEUEVQD-UHFFFAOYSA-N |
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