Drug Information

Drug General Information
Drug ID
D0C1US
Former ID
DNC013950
Drug Name
FGGFTGARKSARKLWNQ
Indication Discovery agent Investigative [530249]
Structure
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2D MOL

3D MOL
Formula
C87H134N28O22
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O<br />)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC<br />(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(<br />=O)C(C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)<br />CNC(=O)CNC(=O)C(CC4=CC=CC=C4)N
InChI
1S/C87H134N28O22/c1-46(2)36-61(79(130)112-63(39-52-41-99-55-25-13-12-24-53(52)55)80(131)113-64(40-67(92)119)81(132)110-60(85(136)137)30-31-66(91)118)111-77(128)56(26-14-16-32-88)108-76(127)59(29-19-35-98-87(95)96)107-73(124)48(4)104-83(134)65(45-116)114-78(129)57(27-15-17-33-89)109-75(126)58(28-18-34-97-86(93)94)106-72(123)47(3)103-69(121)44-102-84(135)71(49(5)117)115-82(133)62(38-51-22-10-7-11-23-51)105-70(122)43-100-68(120)42-101-74(125)54(90)37-50-20-8-6-9-21-50/h6-13,20-25,41,46-49,54,56-65,71,99,116-117H,14-19,26-40,42-45,88-90H2,1-5H3,(H2,91,118)(H2,92,119)(H,100,120)(H,101,125)(H,102,135)(H,103,121)(H,104,134)(H,105,122)(H,106,123)(H,107,124)(H,108,127)(H,109,126)(H,110,132)(H,111,128)(H,112,130)(H,113,131)(H,114,129)(H,115,133)(H,136,137)(H4,93,94,97)(H4,95,96,98)/t47-,48-,49+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-/m0/s1
InChIKey
IXCVHRQJQPARCV-PBUARHPHSA-N
PubChem Compound ID
16180588
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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