Drug General Information
Drug ID
D07ZFH
Former ID
DNC013929
Drug Name
FGGFTRKRKSARKLANQ
Indication Discovery agent Investigative [529719]
Structure
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2D MOL

3D MOL

Formula
C86H145N31O22
Canonical SMILES
CC(C)CC(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O<br />)O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(C<br />O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)<br />C(CCCNC(=N)N)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C<br />NC(=O)CNC(=O)C(CC2=CC=CC=C2)N
InChI
1S/C86H145N31O22/c1-46(2)39-60(78(133)104-48(4)70(125)114-62(42-65(92)121)79(134)113-59(83(138)139)31-32-64(91)120)115-76(131)54(26-13-16-34-88)109-73(128)56(28-18-36-99-84(93)94)107-69(124)47(3)105-81(136)63(45-118)116-77(132)55(27-14-17-35-89)110-74(129)57(29-19-37-100-85(95)96)111-72(127)53(25-12-15-33-87)108-75(130)58(30-20-38-101-86(97)98)112-82(137)68(49(5)119)117-80(135)61(41-51-23-10-7-11-24-51)106-67(123)44-102-66(122)43-103-71(126)52(90)40-50-21-8-6-9-22-50/h6-11,21-24,46-49,52-63,68,118-119H,12-20,25-45,87-90H2,1-5H3,(H2,91,120)(H2,92,121)(H,102,122)(H,103,126)(H,104,133)(H,105,136)(H,106,123)(H,107,124)(H,108,130)(H,109,128)(H,110,129)(H,111,127)(H,112,137)(H,113,134)(H,114,125)(H,115,131)(H,116,132)(H,117,135)(H,138,139)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t47-,48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-/m0/s1
InChIKey
SNTZLYOXEWYFBE-UTPVZXCMSA-N
PubChem Compound ID
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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