GSK417651A   

GtoPdb Ligand ID: 10279

Synonyms: compound 3 [PMID: 23886683]
Compound class: Synthetic organic
Comment: GSK417651A acts as a TRPC3/6 ion channel blocker [1-2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 82.7
Molecular weight 365.12
XLogP 3.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2
Isomeric SMILES COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2
InChI InChI=1S/C20H19N3O2S/c1-25-17-8-6-16(7-9-17)21-20-22-18(13-26-20)19(24)23-11-10-14-4-2-3-5-15(14)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)
InChI Key NTXBDULODNTCKP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-(4-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,3-thiazol-2-amine
Synonyms
compound 3 [PMID: 23886683]
Database Links
BindingDB Ligand 43434
ChEMBL Ligand CHEMBL1506485
GtoPdb PubChem SID 381744960
PubChem CID 1096735
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