Drug Information

Drug General Information
Drug ID
D00LVW
Former ID
DNC008217
Drug Name
Ada-RYYRIK-NH2
Indication Discovery agent Investigative [529208]
Formula
C53H82N14O8
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)C34CC5CC(C3)CC(C5)C4
InChI
1S/C53H82N14O8/c1-3-31(2)43(49(74)62-38(44(55)69)13-7-8-20-54)67-46(71)39(14-9-21-60-51(56)57)63-47(72)42(27-33-16-18-37(68)19-17-33)65-48(73)41(26-32-11-5-4-6-12-32)64-45(70)40(15-10-22-61-52(58)59)66-50(75)53-28-34-23-35(29-53)25-36(24-34)30-53/h4-6,11-12,16-19,31,34-36,38-43,68H,3,7-10,13-15,20-30,54H2,1-2H3,(H2,55,69)(H,62,74)(H,63,72)(H,64,70)(H,65,73)(H,66,75)(H,67,71)(H4,56,57,60)(H4,58,59,61)/t31-,34?,35?,36?,38-,39-,40-,41-,42-,43-,53?/m0/s1
InChIKey
CHQPBFJDZBBZJD-OGHQQVQQSA-N
PubChem Compound ID
44456141
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.