Drug General Information
Drug ID
D0H9QA
Former ID
DNC010536
Drug Name
Gal-B5
Indication Discovery agent Investigative [541331]
Structure
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2D MOL

3D MOL

Formula
C101H169N23O21
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)N
InChI
1S/C101H169N23O21/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-84(129)108-49-32-28-39-74(92(136)114-72(88(107)132)36-25-29-46-102)116-93(137)73(37-26-30-47-103)115-94(138)75(38-27-31-48-104)117-100(144)82-40-33-50-124(82)86(131)59-111-91(135)76(51-61(2)3)118-95(139)77(52-62(4)5)119-97(141)79(54-66-42-44-68(127)45-43-66)113-85(130)58-110-89(133)64(8)112-99(143)81(60-125)122-98(142)80(56-83(106)128)120-96(140)78(53-63(6)7)121-101(145)87(65(9)126)123-90(134)70(105)55-67-57-109-71-35-24-23-34-69(67)71/h23-24,34-35,42-45,57,61-65,70,72-82,87,109,125-127H,10-22,25-33,36-41,46-56,58-60,102-105H2,1-9H3,(H2,106,128)(H2,107,132)(H,108,129)(H,110,133)(H,111,135)(H,112,143)(H,113,130)(H,114,136)(H,115,138)(H,116,137)(H,117,144)(H,118,139)(H,119,141)(H,120,140)(H,121,145)(H,122,142)(H,123,134)/t64-,65+,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-/m0/s1
InChIKey
CYRNKOJFIDMNMV-WCXAHCKYSA-N
PubChem Compound ID
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 541331(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: 6107).
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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