AMOXAPINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1980)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06AA17
UNII: R63VQ857OT

Structure
InChI Key QWGDMFLQWFTERH-UHFFFAOYSA-N
Smile 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
Number of Rotational Bond 0.0
Polar Surface Area 36.86
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine receptor antagonist
Primary Target
NET
SERT
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 10000 - - -
Enzyme Hydrolase
- - - - 7.3
Enzyme Transferase
- - - - 10.48
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -19.32--5.56
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 27000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1192 - 242 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 109 - 144 43
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 134 - 196 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 99 - 11 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 10 - 0.444-1.77 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 13-14.3 - 13 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101.48
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 230100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
29.17
General disorders and administration site conditions
14.58
Nervous system disorders
12.5
Gastrointestinal disorders
8.33
Immune system disorders
8.33
Injury, poisoning and procedural complications
8.33
Metabolism and nutrition disorders
4.17
Musculoskeletal and connective tissue disorders
4.17
Skin and subcutaneous tissue disorders
4.17
Vascular disorders
4.17
Product issues
2.08

Cross References

Resources Reference
CAS NUMBER 14028-44-5
ChEBI 2675
ChEMBL CHEMBL1113
DrugBank DB00543
DrugCentral 191
EPA CompTox DTXSID7022598
FDA SRS R63VQ857OT
Human Metabolome Database HMDB14683
Guide to Pharmacology 201
KEGG D00228
PharmGKB PA448405
PubChem 2170
SureChEMBL SCHEMBL33950
ZINC ZINC000000000931
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