Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01CFO
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| Former ID |
DNC008226
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| Drug Name |
IsoVa-RYYRIK-NH2
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| Synonyms |
CHEMBL404530
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C47H76N14O8
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)CC(C)C
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| InChI |
1S/C47H76N14O8/c1-5-29(4)39(45(69)57-33(40(49)64)15-9-10-22-48)61-42(66)35(17-12-24-55-47(52)53)58-43(67)37(27-31-18-20-32(62)21-19-31)60-44(68)36(26-30-13-7-6-8-14-30)59-41(65)34(16-11-23-54-46(50)51)56-38(63)25-28(2)3/h6-8,13-14,18-21,28-29,33-37,39,62H,5,9-12,15-17,22-27,48H2,1-4H3,(H2,49,64)(H,56,63)(H,57,69)(H,58,67)(H,59,65)(H,60,68)(H,61,66)(H4,50,51,54)(H4,52,53,55)/t29-,33-,34-,35-,36-,37-,39-/m0/s1
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| InChIKey |
WYGLGBXUEUHKTI-INYUMPDKSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Nociceptin receptor (OPRL1) | 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 | ||||
| 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 | Designed modification of partial agonist of ORL1 nociceptin receptor for conversion into highly potent antagonist. Bioorg Med Chem. 2008 Mar 1;16(5):2635-44. | |||
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