Drug Information

Drug General Information
Drug ID
D07WQG
Former ID
DNC004576
Drug Name
FGGFTGARKSARKLADE
Indication Discovery agent Investigative [526185]
Structure
Download
2D MOL

3D MOL
Formula
C79H128N26O23
Canonical SMILES
CC(C)CC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O<br />)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(C<br />O)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(C<br />C2=CC=CC=C2)N
InChI
1S/C79H128N26O23/c1-41(2)33-54(73(124)94-44(5)67(118)102-56(36-62(113)114)74(125)97-49(64(83)115)27-28-61(111)112)103-71(122)50(23-13-15-29-80)100-70(121)53(26-18-32-89-79(86)87)99-66(117)43(4)95-76(127)57(40-106)104-72(123)51(24-14-16-30-81)101-69(120)52(25-17-31-88-78(84)85)98-65(116)42(3)93-59(109)39-92-77(128)63(45(6)107)105-75(126)55(35-47-21-11-8-12-22-47)96-60(110)38-90-58(108)37-91-68(119)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,106-107H,13-18,23-40,80-82H2,1-6H3,(H2,83,115)(H,90,108)(H,91,119)(H,92,128)(H,93,109)(H,94,124)(H,95,127)(H,96,110)(H,97,125)(H,98,116)(H,99,117)(H,100,121)(H,101,120)(H,102,118)(H,103,122)(H,104,123)(H,105,126)(H,111,112)(H,113,114)(H4,84,85,88)(H4,86,87,89)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
InChIKey
PUPSFQBPHILNGY-SMFNREODSA-N
PubChem Compound ID
44351779
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [526185]
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 526185J Med Chem. 2001 Nov 8;44(23):4015-8.Structure-activity studies on nociceptin analogues: ORL1 receptor binding and biological activity of cyclic disulfide-containing analogues of nociceptin peptides.
Ref 526185J Med Chem. 2001 Nov 8;44(23):4015-8.Structure-activity studies on nociceptin analogues: ORL1 receptor binding and biological activity of cyclic disulfide-containing analogues of nociceptin peptides.

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