Drug Information

Drug General Information
Drug ID
D0K4XA
Former ID
DNC004267
Drug Name
F-G-G-F-T-G-A-R-K-S-A-R-K-L-MeA-N-Q-COOH
Indication Discovery agent Investigative [526456]
Structure
Download
2D MOL

3D MOL
Formula
C80H131N27O22
Canonical SMILES
CC(C)CC(C(=O)N(C)C(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C<br />(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)<br />C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C<br />NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)<br />C(CC2=CC=CC=C2)N
InChI
1S/C80H131N27O22/c1-42(2)34-57(77(127)107(7)45(5)67(117)103-56(37-60(85)111)73(123)102-54(78(128)129)28-29-59(84)110)104-71(121)50(24-14-16-30-81)100-70(120)53(27-19-33-91-80(88)89)99-66(116)44(4)96-75(125)58(41-108)105-72(122)51(25-15-17-31-82)101-69(119)52(26-18-32-90-79(86)87)98-65(115)43(3)95-62(113)40-94-76(126)64(46(6)109)106-74(124)55(36-48-22-12-9-13-23-48)97-63(114)39-92-61(112)38-93-68(118)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,108-109H,14-19,24-41,81-83H2,1-7H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,118)(H,94,126)(H,95,113)(H,96,125)(H,97,114)(H,98,115)(H,99,116)(H,100,120)(H,101,119)(H,102,123)(H,103,117)(H,104,121)(H,105,122)(H,106,124)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
InChIKey
NQIPFWOYZKKZKS-FKPOJLNCSA-N
PubChem Compound ID
44366312
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.