Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0YA8J
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| Former ID |
DIB019935
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| Drug Name |
grayanotoxin III
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| Synonyms |
grayanotoxin III; UNII-ZKR09NT58C; Andromedol; ZKR09NT58C; Deacylasebotoxin I; Deacetylandromedotoxin; 4678-45-9; NSC 323778; BRN 2059374; Grayanotoxane-3,5,6,10,14,16-hexol, (3-beta,6-beta,14R)-; grayanotoxin-III; (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol; GTPL2628; CHEMBL454313; SCHEMBL1008212; 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-; ZINC33913426; Grayanotoxane-3,5,6,10,14,16-hexol, (3beta,6beta,14R)- (9CI)
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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 |
C20H34O6
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| Canonical SMILES |
CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C
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| InChI |
1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1
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| InChIKey |
BWMFRQKICHXLSH-FIRPSQKQSA-N
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| CAS Number |
CAS 4678-45-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Voltage-gated sodium channel alpha Nav1.4 (SCN4A) | Target Info | Activator | [2] |
| Reactome | Interaction between L1 and Ankyrins | |||
| 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: 2628). | |||
| REF 2 | Novel site on sodium channel alpha-subunit responsible for the differential sensitivity of grayanotoxin in skeletal and cardiac muscle. Mol Pharmacol. 2001 Oct;60(4):865-72. | |||
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