NERISPIRDINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII G7M7YWO6CG
EPA CompTox DTXSID20152353

Structure

InChI Key BTDHTARYCBHHPJ-UHFFFAOYSA-N
Smiles 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
Number of Rotational Bond 4.0
Polar Surface Area 21.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

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

Target Conservation

Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 1 subunit alpha
Organism : Homo sapiens
P35498 ENSG00000144285
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 4 subunit alpha
Organism : Homo sapiens
P35499 ENSG00000007314
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 9 subunit alpha
Organism : Homo sapiens
Q15858 ENSG00000169432
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 2 subunit alpha
Organism : Homo sapiens
Q99250 ENSG00000136531
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 3 subunit alpha
Organism : Homo sapiens
Q9NY46 ENSG00000153253
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 11 subunit alpha
Organism : Homo sapiens
Q9UI33 ENSG00000168356
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 8 subunit alpha
Organism : Homo sapiens
Q9UQD0 ENSG00000196876
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 10 subunit alpha
Organism : Homo sapiens
Q9Y5Y9 ENSG00000185313

Cross References

Resources Reference
ChEMBL CHEMBL2107762
DrugBank DB12714
FDA SRS G7M7YWO6CG
PubChem 3081185
SureChEMBL SCHEMBL3842518
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