Drug General Information
Drug ID
D0SN6V
Former ID
DNC008221
Drug Name
T-BuAc-RYYRIK-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529208]
Formula
C48H78N14O8
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)C
InChI
1S/C48H78N14O8/c1-6-29(2)39(45(70)58-33(40(50)65)16-10-11-23-49)62-42(67)35(18-13-25-56-47(53)54)59-43(68)37(27-31-19-21-32(63)22-20-31)61-44(69)36(26-30-14-8-7-9-15-30)60-41(66)34(17-12-24-55-46(51)52)57-38(64)28-48(3,4)5/h7-9,14-15,19-22,29,33-37,39,63H,6,10-13,16-18,23-28,49H2,1-5H3,(H2,50,65)(H,57,64)(H,58,70)(H,59,68)(H,60,66)(H,61,69)(H,62,67)(H4,51,52,55)(H4,53,54,56)/t29-,33-,34-,35-,36-,37-,39-/m0/s1
InChIKey
MBLODLLZWHUJED-INYUMPDKSA-N
PubChem Compound ID
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.