LOXAPINE

Search structure
Synonyms:
Status: Approved (1975)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05AH01
UNII: LER583670J

Structure
InChI Key XJGVXQDUIWGIRW-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 28.07
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST D2-like dopamine receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3.204
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- 1800-20000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 5500 - - -
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 - 4.9-9 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
218.78 1000 - 4570.88 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1000 - 15 23

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psychomotor Agitation 4 D011595 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Delirium 3 D003693 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials
Tobacco Use Disorder 1 D014029 ClinicalTrials
Asthma 1 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 50841
ChEMBL CHEMBL831
DrugBank DB00408
DrugCentral 1613
EPA CompTox DTXSID7023229
FDA SRS LER583670J
Human Metabolome Database HMDB14552
Guide to Pharmacology 205
KEGG C07104
PharmGKB PA450273
PubChem 3964
SureChEMBL SCHEMBL94146
ZINC ZINC000019796158
CONTENTS