Drug Information

Drug General Information
Drug ID
D0H7NY
Former ID
DNC013939
Drug Name
FGGFTGARKSARKAANQ
Indication Discovery agent Investigative [529719]
Structure
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2D MOL

3D MOL
Formula
C76H123N27O22
Canonical SMILES
CC(C(C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)<br />C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C<br />(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=<br />O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C<br />C=C2)N)O
InChI
1S/C76H123N27O22/c1-39(91-58(109)37-90-73(123)60(43(5)105)103-71(121)52(33-45-20-10-7-11-21-45)95-59(110)36-88-57(108)35-89-65(115)46(79)32-44-18-8-6-9-19-44)62(112)96-49(24-16-30-86-75(82)83)68(118)99-48(23-13-15-29-78)69(119)102-54(38-104)72(122)94-42(4)63(113)97-50(25-17-31-87-76(84)85)67(117)98-47(22-12-14-28-77)66(116)93-40(2)61(111)92-41(3)64(114)101-53(34-56(81)107)70(120)100-51(74(124)125)26-27-55(80)106/h6-11,18-21,39-43,46-54,60,104-105H,12-17,22-38,77-79H2,1-5H3,(H2,80,106)(H2,81,107)(H,88,108)(H,89,115)(H,90,123)(H,91,109)(H,92,111)(H,93,116)(H,94,122)(H,95,110)(H,96,112)(H,97,113)(H,98,117)(H,99,118)(H,100,120)(H,101,114)(H,102,119)(H,103,121)(H,124,125)(H4,82,83,86)(H4,84,85,87)/t39-,40-,41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53-,54-,60-/m0/s1
InChIKey
FMVUBOOWCUPBBL-OVWUADNCSA-N
PubChem Compound ID
44588835
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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