Drug General Information
Drug ID
D02WBU
Former ID
DNC008220
Drug Name
2,2-diMeBut-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)C(C)(C)CC
InChI
1S/C48H78N14O8/c1-6-29(3)38(44(69)57-33(39(50)64)17-11-12-24-49)62-41(66)34(18-13-25-55-46(51)52)58-42(67)37(28-31-20-22-32(63)23-21-31)60-43(68)36(27-30-15-9-8-10-16-30)59-40(65)35(19-14-26-56-47(53)54)61-45(70)48(4,5)7-2/h8-10,15-16,20-23,29,33-38,63H,6-7,11-14,17-19,24-28,49H2,1-5H3,(H2,50,64)(H,57,69)(H,58,67)(H,59,65)(H,60,68)(H,61,70)(H,62,66)(H4,51,52,55)(H4,53,54,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
JOZALXQUIMQHHA-AVTNSMPVSA-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.