Structure

InChI Key BVPWJMCABCPUQY-UHFFFAOYSA-N
Smiles COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChI
InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24ClN3O2
Molecular Weight 373.88
AlogP 3.33
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 67.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 104 -
Homo sapiens
- 602.56 - - -
Rattus norvegicus
- - - 1.13-11.9 -
Spodoptera frugiperda
- - - 10.4 -
Torpedo californica
- 890 - - -

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295
Protein: Serotonin 4 (5-HT4) receptor

Description: 5-hydroxytryptamine receptor 4

Organism : Homo sapiens

Q13639 ENSG00000164270

Related Entries

Cross References

Resources Reference
ChEBI 92309
ChEMBL CHEMBL325109
DrugBank DB13511
DrugCentral 670
FDA SRS I0A84520Y9
PubChem 2780
SureChEMBL SCHEMBL25710
ZINC ZINC000000608261