Synonyms
Status
Molecule Category Free-form
ATC A03FA04
UNII 75473V2YZK
EPA CompTox DTXSID0045383

Structure

InChI Key GIYAQDDTCWHPPL-UHFFFAOYSA-N
Smiles CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC
InChI
InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22BrN3O2
Molecular Weight 344.25
AlogP 2.11
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 67.59
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 85.77-93.15

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Cross References

Resources Reference
ChEBI 95304
ChEMBL CHEMBL399510
DrugBank DB09018
DrugCentral 406
FDA SRS 75473V2YZK
PubChem 2446
SureChEMBL SCHEMBL54497
ZINC ZINC000002038104