BIFEPRUNOX

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII AP69E83Z79
EPA CompTox DTXSID80188592

Structure

InChI Key CYGODHVAJQTCBG-UHFFFAOYSA-N
Smiles O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1
InChI
InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H23N3O2
Molecular Weight 385.47
AlogP 4.11
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 52.48
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor partial agonist PARTIAL 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
- 2.9 - 0.04-2.3 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
323.59 - - 9.3-64.57 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
323.59 2.9 - 0.04-2.3 -
Rattus norvegicus
- - - 1.549-64.57 -

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor
Description: 5-hydroxytryptamine receptor 1A
Organism : Homo sapiens
P08908 ENSG00000178394
Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL218166
DrugBank DB04888
FDA SRS AP69E83Z79
PubChem 208951
SureChEMBL SCHEMBL114371
ZINC ZINC000052971454
CONTENTS