AMOXAPINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N06AA17
UNII R63VQ857OT
EPA CompTox DTXSID7022598

Structure

InChI Key QWGDMFLQWFTERH-UHFFFAOYSA-N
Smiles Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2
InChI
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16ClN3O
Molecular Weight 313.79
AlogP 3.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 36.86
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Dopamine receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 7.3
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - - 43
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 34 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1.77-500 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101.48-115.83
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacteria
- 530 - - -
Cricetulus griseus
- - - - 101.48-115.83
Escherichia coli
- 83 - 50 99.8
Homo sapiens
- - - 1.77-500 7.3-43

Target Conservation

Protein: Dopamine receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Dopamine receptor
Description: D(1A) dopamine receptor
Organism : Homo sapiens
P21728 ENSG00000184845
Protein: Dopamine receptor
Description: D(4) dopamine receptor
Organism : Homo sapiens
P21917 ENSG00000069696
Protein: Dopamine receptor
Description: D(1B) dopamine receptor
Organism : Homo sapiens
P21918 ENSG00000169676
Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546
Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576
Protein: Dopamine receptor
Description: D(3) dopamine receptor
Organism : Homo sapiens
P35462 ENSG00000151577

Cross References

Resources Reference
ChEBI 2675
ChEMBL CHEMBL1113
DrugBank DB00543
DrugCentral 191
FDA SRS R63VQ857OT
Human Metabolome Database HMDB0014683
Guide to Pharmacology 201
KEGG D00228
PharmGKB PA448405
PubChem 2170
SureChEMBL SCHEMBL33950
ZINC ZINC000000000931
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