Structure

InChI Key LAZPBGZRMVRFKY-HNCPQSOCSA-N
Smiles Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1
InChI
InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13ClN2S
Molecular Weight 240.76
AlogP 2.15
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 15.6
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Nicotinic acetylcholine receptor alpha subunit agonist AGONIST PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ancylostoma caninum
- 1.5-17 - - -
Cricetulus griseus
- - - - 102.89-121.81

Cross References

Resources Reference
ChEBI 6433
ChEMBL CHEMBL1770
FDA SRS DL9055K809
Guide to Pharmacology 7210
KEGG C07906
PubChem 27944
SureChEMBL SCHEMBL19226
ZINC ZINC00119839