Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01SLG
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| Former ID |
DNC001056
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| Drug Name |
Okadaic acid
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| Synonyms |
78111-17-8; CHEMBL280487; CHEBI:44658; C44H68O13; 9,10-Deepithio-9,10-didehydroacanthifolicin; Ocadaic Acid; OKA; (2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid; UNII-1W21G5Q4N2; CCRIS 3329; HSDB 7243; 1W21G5Q4N2; 1jk7
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C44H68O13
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| Canonical SMILES |
CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O
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| InChI |
1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1
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| InChIKey |
QNDVLZJODHBUFM-WFXQOWMNSA-N
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| CAS Number |
CAS 78111-17-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
584236, 823554, 3153140, 7889572, 7980368, 10299908, 14840618, 16018839, 24897998, 24898069, 26697137, 36888909, 46393288, 47216553, 49857808, 50762076, 53789776, 57404748, 91701779, 104005410, 104234157, 104636588, 137024288, 137179375, 162187529, 162228448, 178102011, 186014503, 208011843, 226500271, 251911561, 252355519
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| ChEBI ID |
CHEBI:44658
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Dual specificity protein phosphatase 1 (DUSP1) | Target Info | Inhibitor | [2] |
| KEGG Pathway | MAPK signaling pathway | |||
| Serotonergic synapse | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| EGFR1 Signaling Pathway | ||||
| Wnt Signaling Pathway | ||||
| TCR Signaling Pathway | ||||
| Pathway Interaction Database | Fc-epsilon receptor I signaling in mast cells | |||
| Regulation of p38-alpha and p38-beta | ||||
| Direct p53 effectors | ||||
| ErbB1 downstream signaling | ||||
| ATF-2 transcription factor network | ||||
| AP-1 transcription factor network | ||||
| Reactome | RAF-independent MAPK1/3 activation | |||
| Negative regulation of MAPK pathway | ||||
| WikiPathways | MAPK Signaling Pathway | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5349). | |||
| REF 2 | Inhibition of protein phosphatase 1 stimulates secretion of Alzheimer amyloid precursor protein. Mol Med. 1995 Jul;1(5):535-41. | |||
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