Drug Information

Drug General Information
Drug ID
D03ECE
Former ID
DNC009035
Drug Name
(Sar)WTLNSAGYLLGPKK(Lys-octanoyl)K
Indication Discovery agent Investigative [529952]
Structure
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2D MOL

3D MOL
Formula
C96H157N23O23
Canonical SMILES
CCCCCCCC(=O)NCCCCC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCCN)N<br />C(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(<br />CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(C)NC(=O)C<br />(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)<br />C(CC3=CNC4=CC=CC=C43)OC(=O)CNC
InChI
1S/C96H157N23O23/c1-11-12-13-14-15-34-78(124)103-42-25-21-32-67(86(131)109-65(83(101)128)29-18-22-39-97)111-87(132)66(30-19-23-40-98)110-88(133)68(31-20-24-41-99)112-94(139)75-33-26-43-119(75)80(126)52-106-85(130)69(44-55(2)3)113-89(134)70(45-56(4)5)114-91(136)72(47-60-35-37-62(122)38-36-60)108-79(125)51-105-84(129)58(8)107-93(138)74(54-120)117-92(137)73(49-77(100)123)115-90(135)71(46-57(6)7)116-96(141)82(59(9)121)118-95(140)76(142-81(127)53-102-10)48-61-50-104-64-28-17-16-27-63(61)64/h16-17,27-28,35-38,50,55-59,65-76,82,102,104,120-122H,11-15,18-26,29-34,39-49,51-54,97-99H2,1-10H3,(H2,100,123)(H2,101,128)(H,103,124)(H,105,129)(H,106,130)(H,107,138)(H,108,125)(H,109,131)(H,110,133)(H,111,132)(H,112,139)(H,113,134)(H,114,136)(H,115,135)(H,116,141)(H,117,137)(H,118,140)/t58-,59+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,82-/m0/s1
InChIKey
XODIEYZRWNAUJL-MBNUXEJASA-N
PubChem Compound ID
44563952
Target and Pathway
Target(s) Galanin receptor type 1 Target Info Inhibitor [529952]
Galanin receptortype 2 Target Info Inhibitor [529952]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 529952J Med Chem. 2009 Mar 12;52(5):1310-6.Structural requirements for a lipoamino acid in modulating the anticonvulsant activities of systemically active galanin analogues.
Ref 529952J Med Chem. 2009 Mar 12;52(5):1310-6.Structural requirements for a lipoamino acid in modulating the anticonvulsant activities of systemically active galanin analogues.

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