Drug Information

Drug General Information
Drug ID
D0M7TP
Former ID
DNC008224
Drug Name
Piv-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)C(C)(C)C
InChI
1S/C47H76N14O8/c1-6-28(2)37(43(68)56-32(38(49)63)16-10-11-23-48)61-40(65)33(17-12-24-54-45(50)51)57-41(66)36(27-30-19-21-31(62)22-20-30)59-42(67)35(26-29-14-8-7-9-15-29)58-39(64)34(18-13-25-55-46(52)53)60-44(69)47(3,4)5/h7-9,14-15,19-22,28,32-37,62H,6,10-13,16-18,23-27,48H2,1-5H3,(H2,49,63)(H,56,68)(H,57,66)(H,58,64)(H,59,67)(H,60,69)(H,61,65)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKey
KUMVVDGHDQEFOK-KHLMYIKTSA-N
PubChem Compound ID
44456412
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.