Drug General Information
Drug ID
D0A9VZ
Former ID
DNC004262
Drug Name
F-G-G-F-T-G-A-R-K-S-A-R-K-L-Aib-N-Q-COOH
Indication Discovery agent Investigative [526456]
Structure
Download
2D MOL

3D MOL

Formula
C80H131N27O22
Canonical SMILES
CCC(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(<br />C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(<br />CO)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)CNC<br />(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(<br />CC2=CC=CC=C2)N
InChI
1S/C80H131N27O22/c1-7-49(68(118)105-57(37-60(85)111)74(124)103-54(78(128)129)28-29-59(84)110)98-73(123)55(34-42(2)3)104-71(121)50(24-14-16-30-81)101-70(120)53(27-19-33-91-80(88)89)100-66(116)44(5)96-76(126)58(41-108)106-72(122)51(25-15-17-31-82)102-69(119)52(26-18-32-90-79(86)87)99-65(115)43(4)95-62(113)40-94-77(127)64(45(6)109)107-75(125)56(36-47-22-12-9-13-23-47)97-63(114)39-92-61(112)38-93-67(117)48(83)35-46-20-10-8-11-21-46/h8-13,20-23,42-45,48-58,64,108-109H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,117)(H,94,127)(H,95,113)(H,96,126)(H,97,114)(H,98,123)(H,99,115)(H,100,116)(H,101,120)(H,102,119)(H,103,124)(H,104,121)(H,105,118)(H,106,122)(H,107,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
InChIKey
CBBZIEAUVSBRPS-KMOVSZGYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [526456]
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 526456J Med Chem. 2002 Nov 21;45(24):5280-6.Novel, potent ORL-1 receptor agonist peptides containing alpha-Helix-promoting conformational constraints.
Ref 526456J Med Chem. 2002 Nov 21;45(24):5280-6.Novel, potent ORL-1 receptor agonist peptides containing alpha-Helix-promoting conformational constraints.

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