Drug Information

Drug General Information
Drug ID
D02JQP
Former ID
DNC010521
Drug Name
GalB2
Indication Discovery agent Investigative [541330]
Structure
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2D MOL

3D MOL
Formula
C104H173N23O23
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)NC(CCCCN)C(=O)O)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(=O)CNC
InChI
1S/C104H173N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)110-50-33-29-39-74(95(140)120-76(104(149)150)40-28-32-49-107)118-93(138)73(37-26-30-47-105)117-94(139)75(38-27-31-48-106)119-102(147)84-41-34-51-127(84)89(135)61-113-92(137)77(52-63(2)3)121-96(141)78(53-64(4)5)122-98(143)80(55-68-43-45-70(130)46-44-68)115-88(134)60-112-91(136)66(8)114-101(146)83(62-128)125-99(144)82(57-85(108)131)123-97(142)79(54-65(6)7)124-103(148)90(67(9)129)126-100(145)81(116-87(133)59-109-10)56-69-58-111-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,109,111,128-130H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,131)(H,110,132)(H,112,136)(H,113,137)(H,114,146)(H,115,134)(H,116,133)(H,117,139)(H,118,138)(H,119,147)(H,120,140)(H,121,141)(H,122,143)(H,123,142)(H,124,148)(H,125,144)(H,126,145)(H,149,150)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
InChIKey
DWLPZUABYQBJIQ-CMDPNKGGSA-N
PubChem Compound ID
24760995
Target and Pathway
Target(s) Galanin receptortype 2 Target Info Inhibitor [530680]
Galanin receptor type 1 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 541330(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: 6105).
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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