LOXAPINE

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Synonyms
Status
Molecule Category Free-form
ATC N05AH01
UNII LER583670J
EPA CompTox DTXSID7023229

Structure

InChI Key XJGVXQDUIWGIRW-UHFFFAOYSA-N
Smiles CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
InChI
InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18ClN3O
Molecular Weight 327.81
AlogP 3.77
Hydrogen Bond Acceptor 4.0
Polar Surface Area 28.07
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
D2-like dopamine receptor antagonist ANTAGONIST FDA
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
- 18 - - 48
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 14-54 - 4.9-21 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
218.78 - - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 6 - 2.42-43 23
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
218.78 - - 2.42-9 23-48

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin 2c (5-HT2c) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246

Cross References

Resources Reference
ChEBI 50841
ChEMBL CHEMBL831
DrugBank DB00408
DrugCentral 1613
FDA SRS LER583670J
Human Metabolome Database HMDB0014552
Guide to Pharmacology 205
KEGG C07104
PharmGKB PA450273
SureChEMBL SCHEMBL94146
ZINC ZINC000019796158
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