Eact   Click here for help

GtoPdb Ligand ID: 13562

Synonyms: Eact
Compound class: Synthetic organic
Comment: Eact is a calcium-activated chloride channel TMEM16A (ANO1) activator [1]. It stimulates the TMEM16A Cl current in in vitro cell systems.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 94.89
Molecular weight 428.5
XLogP 2.29
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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Canonical SMILES COCCN(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=NC(=CS2)C3=CC=CC=C3
Isomeric SMILES COCCN(C(=O)C1=CC(OC)=C(OC)C(OC)=C1)C2=NC(=CS2)C3=CC=CC=C3
InChI InChI=1S/C22H24N2O5S/c1-26-11-10-24(22-23-17(14-30-22)15-8-6-5-7-9-15)21(25)16-12-18(27-2)20(29-4)19(13-16)28-3/h5-9,12-14H,10-11H2,1-4H3
InChI Key ZUXNHFFVQWADJL-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Synonyms Click here for help
Eact
Database Links Click here for help
CAS Registry No. 461000-66-8 (source: PubChem)
ChEMBL Ligand CHEMBL4303488
GtoPdb PubChem SID 504705381
PubChem CID 3173542
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