Synonyms
Status
Molecule Category Free-form
UNII T5RCK09KHV

Structure

InChI Key KXSUAWAUCNFBQJ-UHFFFAOYSA-N
Smiles CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1
InChI
InChI=1S/C14H15FN2/c1-2-14(13-8-16-9-17-13)6-10-3-4-12(15)5-11(10)7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15FN2
Molecular Weight 230.29
AlogP 3.0
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 28.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-2 antagonist ANTAGONIST PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 6.761-13.8 -

Target Conservation

Protein: Adrenergic receptor alpha-2

Description: Alpha-2A adrenergic receptor

Organism : Homo sapiens

P08913 ENSG00000150594
Protein: Adrenergic receptor alpha-2

Description: Alpha-2B adrenergic receptor

Organism : Homo sapiens

P18089 ENSG00000274286
Protein: Adrenergic receptor alpha-2

Description: Alpha-2C adrenergic receptor

Organism : Homo sapiens

P18825 ENSG00000184160

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1255582
DrugBank DB06585
FDA SRS T5RCK09KHV
PubChem 213041
SureChEMBL SCHEMBL18826053