BENPERIDOL

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Synonyms
Status
Molecule Category Free-form
ATC N05AD07
UNII 97O6X78C53
EPA CompTox DTXSID7045364

Structure

InChI Key FEBOTPHFXYHVPL-UHFFFAOYSA-N
Smiles O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
InChI
InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24FN3O2
Molecular Weight 381.45
AlogP 4.18
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 58.36
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed PubMed PubMed 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
- - - 0.027-0.29 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1.2 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.027-1.2 -

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295

Related Entries

Cross References

Resources Reference
ChEBI 93403
ChEMBL CHEMBL297302
DrugBank DB12867
DrugCentral 312
FDA SRS 97O6X78C53
Guide to Pharmacology 9215
PubChem 16363
SureChEMBL SCHEMBL122650
ZINC ZINC000009232411
CONTENTS