Drug Information

Drug General Information
Drug ID
D06RSR
Former ID
DNC008218
Drug Name
Bz--RYYRIK-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529208]
Formula
C49H72N14O8
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)C3=CC=CC=C3
InChI
1S/C49H72N14O8/c1-3-30(2)40(47(71)58-35(41(51)65)18-10-11-25-50)63-44(68)37(20-13-27-57-49(54)55)60-45(69)39(29-32-21-23-34(64)24-22-32)62-46(70)38(28-31-14-6-4-7-15-31)61-43(67)36(19-12-26-56-48(52)53)59-42(66)33-16-8-5-9-17-33/h4-9,14-17,21-24,30,35-40,64H,3,10-13,18-20,25-29,50H2,1-2H3,(H2,51,65)(H,58,71)(H,59,66)(H,60,69)(H,61,67)(H,62,70)(H,63,68)(H4,52,53,56)(H4,54,55,57)/t30-,35-,36-,37-,38-,39-,40-/m0/s1
InChIKey
OBDOGETZOBOLDY-GCFINZEGSA-N
PubChem Compound ID
44456187
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.