Drug Information

Drug General Information
Drug ID
D0O3SJ
Former ID
DNC013949
Drug Name
FGGFTGARKSARKLYNQ
Indication Discovery agent Investigative [529719]
Structure
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2D MOL

3D MOL
Formula
C85H133N27O23
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)N)C(=O)NC<br />(CCC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O<br />)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)<br />C(C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC<br />(=O)CNC(=O)C(CC3=CC=CC=C3)N
InChI
1S/C85H133N27O23/c1-45(2)36-59(77(128)109-61(39-51-26-28-52(115)29-27-51)78(129)110-62(40-65(90)117)79(130)107-58(83(134)135)30-31-64(89)116)108-75(126)54(22-12-14-32-86)105-74(125)57(25-17-35-96-85(93)94)104-71(122)47(4)101-81(132)63(44-113)111-76(127)55(23-13-15-33-87)106-73(124)56(24-16-34-95-84(91)92)103-70(121)46(3)100-67(119)43-99-82(133)69(48(5)114)112-80(131)60(38-50-20-10-7-11-21-50)102-68(120)42-97-66(118)41-98-72(123)53(88)37-49-18-8-6-9-19-49/h6-11,18-21,26-29,45-48,53-63,69,113-115H,12-17,22-25,30-44,86-88H2,1-5H3,(H2,89,116)(H2,90,117)(H,97,118)(H,98,123)(H,99,133)(H,100,119)(H,101,132)(H,102,120)(H,103,121)(H,104,122)(H,105,125)(H,106,124)(H,107,130)(H,108,126)(H,109,128)(H,110,129)(H,111,127)(H,112,131)(H,134,135)(H4,91,92,95)(H4,93,94,96)/t46-,47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-/m0/s1
InChIKey
BDVDLXKNELSDGP-RLSGEJHXSA-N
PubChem Compound ID
44588844
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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