Drug Information

Drug General Information
Drug ID
D0V6HE
Former ID
DNC013932
Drug Name
FGGFTGARKSARKLARK
Indication Discovery agent Investigative [529719]
Structure
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2D MOL

3D MOL
Formula
C73H130N28O19
Canonical SMILES
CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O<br />)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(C<br />O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)CNC(<br />=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=CC=C1)N
InChI
1S/C73H130N28O19/c1-39(2)33-52(67(116)91-41(4)59(108)95-50(26-18-32-86-73(82)83)64(113)98-51(70(119)120)23-12-15-29-76)99-65(114)46(21-10-13-27-74)96-63(112)49(25-17-31-85-72(80)81)94-60(109)42(5)92-68(117)53(38-102)100-66(115)47(22-11-14-28-75)97-62(111)48(24-16-30-84-71(78)79)93-58(107)40(3)90-55(105)37-89-69(118)57(43(6)103)101-56(106)36-87-54(104)35-88-61(110)45(77)34-44-19-8-7-9-20-44/h7-9,19-20,39-43,45-53,57,102-103H,10-18,21-38,74-77H2,1-6H3,(H,87,104)(H,88,110)(H,89,118)(H,90,105)(H,91,116)(H,92,117)(H,93,107)(H,94,109)(H,95,108)(H,96,112)(H,97,111)(H,98,113)(H,99,114)(H,100,115)(H,101,106)(H,119,120)(H4,78,79,84)(H4,80,81,85)(H4,82,83,86)/t40-,41-,42-,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1
InChIKey
UNHQLKTVYYARAV-VKORATPISA-N
PubChem Compound ID
44588828
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [529719]
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 529719Bioorg Med Chem. 2008 Oct 15;16(20):9261-7. Epub 2008 Sep 9.Synergistic effect of basic residues at positions 14-15 of nociceptin on binding affinity and receptor activation.
Ref 529719Bioorg Med Chem. 2008 Oct 15;16(20):9261-7. Epub 2008 Sep 9.Synergistic effect of basic residues at positions 14-15 of nociceptin on binding affinity and receptor activation.

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