Structure

InChI Key LAZPBGZRMVRFKY-HNCPQSOCSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 15.6
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Nicotinic acetylcholine receptor alpha subunit agonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Nephrotic Syndrome 3 D009404 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
39.29
Nervous system disorders
14.29
Respiratory, thoracic and mediastinal disorders
10.71
Vascular disorders
10.71
Cardiac disorders
3.57
Eye disorders
3.57
Gastrointestinal disorders
3.57
General disorders and administration site conditions
3.57
Infections and infestations
3.57
Metabolism and nutrition disorders
3.57
Renal and urinary disorders
3.57

Cross References

Resources Reference
ChEBI 6433
ChEMBL CHEMBL1770
EPA CompTox DTXSID7047518
FDA SRS DL9055K809
Guide to Pharmacology 7210
KEGG C07906
PubChem 27944
SureChEMBL SCHEMBL19226
ZINC ZINC00119839