FIPAMEZOLE

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Synonyms
Status
Molecule Category UNKNOWN
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

Bioactivity

Mechanism of Action Action Reference
Adrenergic receptor alpha-2 antagonist ANTAGONIST PubMed
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 14 -
Assay Description Organism Bioactivity Reference
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting Homo sapiens 7.244 nM
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting Homo sapiens 6.761 nM
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting Homo sapiens 13.8 nM

Related Entries

Cross References

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