Drug Information

Drug General Information
Drug ID
D0L5BC
Former ID
DNC013941
Drug Name
FGGFTGARKSARKFANQ
Indication Discovery agent Investigative [529719]
Structure
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2D MOL

3D MOL
Formula
C82H127N27O22
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(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(C<br />CC(=O)N)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O<br />)C(CC3=CC=CC=C3)N)O
InChI
1S/C82H127N27O22/c1-44(97-64(115)42-96-79(129)66(47(4)111)109-77(127)57(37-49-22-10-6-11-23-49)100-65(116)41-94-63(114)40-95-70(120)51(85)36-48-20-8-5-9-21-48)67(117)101-54(28-18-34-92-81(88)89)71(121)104-53(27-15-17-33-84)74(124)108-60(43-110)78(128)99-45(2)68(118)102-55(29-19-35-93-82(90)91)72(122)103-52(26-14-16-32-83)73(123)107-58(38-50-24-12-7-13-25-50)75(125)98-46(3)69(119)106-59(39-62(87)113)76(126)105-56(80(130)131)30-31-61(86)112/h5-13,20-25,44-47,51-60,66,110-111H,14-19,26-43,83-85H2,1-4H3,(H2,86,112)(H2,87,113)(H,94,114)(H,95,120)(H,96,129)(H,97,115)(H,98,125)(H,99,128)(H,100,116)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,126)(H,106,119)(H,107,123)(H,108,124)(H,109,127)(H,130,131)(H4,88,89,92)(H4,90,91,93)/t44-,45-,46-,47+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
InChIKey
XBCTWRVAMOVPCA-UUKLZGIWSA-N
PubChem Compound ID
44588837
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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