Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0W7DM
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| Former ID |
DNC013302
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| Drug Name |
2-THIOSALVINORIN B
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| Synonyms |
2-thiosalvinorin B; CHEMBL231536; SCHEMBL13415898
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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 |
C21H26O6S
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| Canonical SMILES |
CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)S)C)C4=COC=C4
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| InChI |
1S/C21H26O6S/c1-20-6-4-12-19(24)27-14(11-5-7-26-10-11)9-21(12,2)17(20)16(22)15(28)8-13(20)18(23)25-3/h5,7,10,12-15,17,28H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
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| InChIKey |
NGNBKFTYZQINBO-CEFSSPBYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor kappa (OPRK1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Opioid prodynorphin pathway | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Convenient synthesis and in vitro pharmacological activity of 2-thioanalogs of salvinorins A and B. Bioorg Med Chem Lett. 2007 Apr 15;17(8):2229-32. | |||
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