ADOPRAZINE

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Synonyms
Status
Molecule Category Free-form
UNII 7SNB18Q89D

Structure

InChI Key IUVSEUFHPNITEQ-UHFFFAOYSA-N
Smiles Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1
InChI
InChI=1S/C24H24FN3O2/c25-21-6-4-19(5-7-21)20-14-18(15-26-16-20)17-27-8-10-28(11-9-27)22-2-1-3-23-24(22)30-13-12-29-23/h1-7,14-16H,8-13,17H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24FN3O2
Molecular Weight 405.47
AlogP 3.98
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 37.83
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST 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 Adrenergic receptor
- - - 501.19 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 3.981-10 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
5.888 - - 0.7943-724.44 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
5.888 - - 0.7943-251.19 -
Rattus norvegicus
- - - 2.291-724.44 -

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
Protein: Dopamine D3 receptor
Description: D(3) dopamine receptor
Organism : Homo sapiens
P35462 ENSG00000151577

Cross References

Resources Reference
ChEMBL CHEMBL221692
FDA SRS 7SNB18Q89D
PubChem 9887537
SureChEMBL SCHEMBL678503
ZINC ZINC000052634547
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