Drug Information

Drug General Information
Drug ID
D01CFO
Former ID
DNC008226
Drug Name
IsoVa-RYYRIK-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529208]
Formula
C47H76N14O8
Canonical SMILES
CCC(C)C(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C<br />(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)<br />N)NC(=O)CC(C)C
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
InChIKey
WYGLGBXUEUHKTI-INYUMPDKSA-N
PubChem Compound ID
44456028
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [529208]
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
Ref 529208Bioorg Med Chem. 2008 Mar 1;16(5):2635-44. Epub 2007 Nov 21.Designed modification of partial agonist of ORL1 nociceptin receptor for conversion into highly potent antagonist.
Ref 529208Bioorg Med Chem. 2008 Mar 1;16(5):2635-44. Epub 2007 Nov 21.Designed modification of partial agonist of ORL1 nociceptin receptor for conversion into highly potent antagonist.