Structure

InChI Key HIGSLXSBYYMVKI-UHFFFAOYSA-N
Smile C[n+]1ccccc1/C=N/O.[Cl-]
InChI
InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9ClN2O
Molecular Weight 172.61
AlogP 0.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 36.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR Acetylcholinesterase activator KEGG DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - 17770-34700 - 4-38

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
30.57
Surgical and medical procedures
12.03
Vascular disorders
11.64
Injury, poisoning and procedural complications
11.05
Nervous system disorders
9.47
General disorders and administration site conditions
5.52
Respiratory, thoracic and mediastinal disorders
5.13
Infections and infestations
3.35

Cross References

Resources Reference
ChEBI 8355
ChEMBL CHEMBL748
EPA CompTox DTXSID1023495
FDA SRS 38X7XS076H
PubChem 135445761
SureChEMBL SCHEMBL61419