Structure

InChI Key NFEIBWMZVIVJLQ-UHFFFAOYSA-N
Smile Cc1cccc(C)c1OCC(C)N.Cl
InChI
InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18ClNO
Molecular Weight 215.72
AlogP 2.03
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 35.25
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker DailyMed Wikipedia Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 11000 - - -
Unclassified protein
- 21000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
17.15
Skin and subcutaneous tissue disorders
11.68
Gastrointestinal disorders
9.85
Nervous system disorders
7.66
Immune system disorders
6.57
Investigations
5.84
Cardiac disorders
5.47
Metabolism and nutrition disorders
5.47
Blood and lymphatic system disorders
4.38
Respiratory, thoracic and mediastinal disorders
4.01
Endocrine disorders
3.28
Injury, poisoning and procedural complications
2.92
Infections and infestations
2.55
Musculoskeletal and connective tissue disorders
2.55
Eye disorders
2.19
Psychiatric disorders
2.19

Cross References

Resources Reference
ChEBI 6917
ChEMBL CHEMBL1200606
EPA CompTox DTXSID2045783
FDA SRS 606D60IS38
Guide to Pharmacology 2629
KEGG C07220
PubChem 21467
SureChEMBL SCHEMBL42226
ZINC ZINC00057062