Structure

InChI Key MTKNGOHFNXIVOS-UHFFFAOYSA-N
Smiles Cl.Clc1ccccc1CN1CCc2sccc2C1
InChI
InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15Cl2NS
Molecular Weight 300.25
AlogP 3.96
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Purinergic receptor P2Y12 antagonist ANTAGONIST PubMed PubMed PubMed

Target Conservation

Protein: Purinergic receptor P2Y12

Description: P2Y purinoceptor 12

Organism : Homo sapiens

Q9H244 ENSG00000169313

Cross References

Resources Reference
ChEBI 9589
ChEMBL CHEMBL1717
FDA SRS A1L4914FMF
Guide to Pharmacology 7307
KEGG C07140
PDB TIC
PubChem 65335
SureChEMBL SCHEMBL33596
ZINC ZINC19594599