Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K2NY
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| Former ID |
DNC008227
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| Drug Name |
Va-RYYRIK-NH2
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| Synonyms |
CHEMBL272084
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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 |
C47H76N14O8
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| Canonical SMILES |
CCCCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)N
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| InChI |
1S/C47H76N14O8/c1-4-6-19-38(63)56-34(17-12-25-54-46(50)51)41(65)59-36(27-30-14-8-7-9-15-30)44(68)60-37(28-31-20-22-32(62)23-21-31)43(67)58-35(18-13-26-55-47(52)53)42(66)61-39(29(3)5-2)45(69)57-33(40(49)64)16-10-11-24-48/h7-9,14-15,20-23,29,33-37,39,62H,4-6,10-13,16-19,24-28,48H2,1-3H3,(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 |
JKNVIONDDVKVIP-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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