Structure

InChI Key BTDHTARYCBHHPJ-UHFFFAOYSA-N
Smile CCCN(c1ccncc1F)n1cc(C)c2ccccc21
InChI
InChI=1S/C17H18FN3/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18FN3
Molecular Weight 283.35
AlogP 4.16
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 21.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis 2 D009103 ClinicalTrials
Spinal Cord Injuries 2 D013119 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 119229-65-1
ChEMBL CHEMBL2107762
DrugBank DB12714
EPA CompTox DTXSID20152353
FDA SRS G7M7YWO6CG
PubChem 3081185
SureChEMBL SCHEMBL3842518