Drug Information

Drug General Information
Drug ID
D0S4VO
Former ID
DNC010535
Drug Name
[N-Me,des-Sar]Gal-B2
Indication Discovery agent Investigative [541332]
Structure
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2D MOL

3D MOL
Formula
C102H171N23O21
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C<br />(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)<br />NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(C<br />)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)<br />O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC
InChI
1S/C102H171N23O21/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-85(130)109-50-33-29-40-74(92(136)115-72(89(107)133)37-26-30-47-103)117-93(137)73(38-27-31-48-104)116-94(138)75(39-28-32-49-105)118-101(145)83-41-34-51-125(83)87(132)60-112-91(135)77(52-62(2)3)119-96(140)78(53-63(4)5)120-98(142)80(55-67-43-45-69(128)46-44-67)114-86(131)59-111-90(134)65(8)113-100(144)82(61-126)123-99(143)81(57-84(106)129)121-97(141)79(54-64(6)7)122-102(146)88(66(9)127)124-95(139)76(108-10)56-68-58-110-71-36-25-24-35-70(68)71/h24-25,35-36,43-46,58,62-66,72-83,88,108,110,126-128H,11-23,26-34,37-42,47-57,59-61,103-105H2,1-10H3,(H2,106,129)(H2,107,133)(H,109,130)(H,111,134)(H,112,135)(H,113,144)(H,114,131)(H,115,136)(H,116,138)(H,117,137)(H,118,145)(H,119,140)(H,120,142)(H,121,141)(H,122,146)(H,123,143)(H,124,139)/t65-,66+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-/m0/s1
InChIKey
WZUYPFZMVKTBDB-CWYLLMHLSA-N
PubChem Compound ID
45104657
Target and Pathway
Target(s) Galanin receptor type 1 Target Info Inhibitor [530680]
Galanin receptortype 2 Target Info Inhibitor [530680]
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 541332(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6109).
Ref 530680J Med Chem. 2010 Feb 25;53(4):1871-5.Engineering galanin analogues that discriminate between GalR1 and GalR2 receptor subtypes and exhibit anticonvulsant activity following systemic delivery.

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