Drug Information

Drug General Information
Drug ID
D0H9QA
Former ID
DNC010536
Drug Name
Gal-B5
Indication Discovery agent Investigative [541331]
Structure
Download
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
25180495
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.

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