BEFIRADOL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: RAT9OHA1YH

Structure
InChI Key PKZXLMVXBZICTF-UHFFFAOYSA-N
Smile Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1
InChI
InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22ClF2N3O
Molecular Weight 393.87
AlogP 3.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 45.23
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Serotonin 1a (5-HT1a) receptor agonist PubMed
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 Dopamine receptor
- - - 15000-46000 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
23-26 - - 1-1 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL45305
FDA SRS RAT9OHA1YH
Guide to Pharmacology 3925
PubChem 9865384
SureChEMBL SCHEMBL678174
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