ETIFOXINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05BX03
UNII: X24X82MX4X

Structure
InChI Key IBYCYJFUEJQSMK-UHFFFAOYSA-N
Smile CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1
InChI
InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17ClN2O
Molecular Weight 300.79
AlogP 4.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 33.62
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST GABA-A receptor; anion channel antagonist PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
- 6700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
CAS NUMBER 21715-46-8
ChEBI 135272
ChEMBL CHEMBL2106227
DrugBank DB08986
DrugCentral 1099
FDA SRS X24X82MX4X
Guide to Pharmacology 5468
PubChem 135413553
SureChEMBL SCHEMBL431973
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