Drug Information

Drug General Information
Drug ID
D0SG5A
Former ID
DNC014106
Drug Name
FGGFTGARKSARKRWNQ
Indication Discovery agent Investigative [530249]
Structure
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2D MOL

3D MOL
Formula
C87H135N31O22
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(CCCNC(=N)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC<br />(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=<br />O)CNC(=O)CNC(=O)C(CC4=CC=CC=C4)N)O
InChI
1S/C87H135N31O22/c1-46(106-68(124)44-105-83(138)70(48(3)120)118-81(136)61(38-50-21-8-5-9-22-50)108-69(125)43-103-67(123)42-104-73(128)53(90)37-49-19-6-4-7-20-49)71(126)109-57(27-16-34-99-85(93)94)75(130)112-56(26-13-15-33-89)78(133)117-64(45-119)82(137)107-47(2)72(127)110-58(28-17-35-100-86(95)96)76(131)111-55(25-12-14-32-88)74(129)113-59(29-18-36-101-87(97)98)77(132)115-62(39-51-41-102-54-24-11-10-23-52(51)54)79(134)116-63(40-66(92)122)80(135)114-60(84(139)140)30-31-65(91)121/h4-11,19-24,41,46-48,53,55-64,70,102,119-120H,12-18,25-40,42-45,88-90H2,1-3H3,(H2,91,121)(H2,92,122)(H,103,123)(H,104,128)(H,105,138)(H,106,124)(H,107,137)(H,108,125)(H,109,126)(H,110,127)(H,111,131)(H,112,130)(H,113,129)(H,114,135)(H,115,132)(H,116,134)(H,117,133)(H,118,136)(H,139,140)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t46-,47-,48+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-/m0/s1
InChIKey
HCNFEYAQXGBVLO-UWALROLSSA-N
PubChem Compound ID
45268422
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [530249]
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 530249Bioorg Med Chem. 2009 Aug 1;17(15):5683-7. Epub 2009 Jun 13.Discriminatory synergistic effect of Trp-substitutions in superagonist [(Arg/Lys)(14), (Arg/Lys)(15)]nociceptin on ORL1 receptor binding and activation.
Ref 530249Bioorg Med Chem. 2009 Aug 1;17(15):5683-7. Epub 2009 Jun 13.Discriminatory synergistic effect of Trp-substitutions in superagonist [(Arg/Lys)(14), (Arg/Lys)(15)]nociceptin on ORL1 receptor binding and activation.

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