ZOTEPINE

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Synonyms
Status
Molecule Category Free-form
ATC N05AX11
UNII U29O83JAZW
EPA CompTox DTXSID9023756

Structure

InChI Key HDOZVRUNCMBHFH-UHFFFAOYSA-N
Smiles CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21
InChI
InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18ClNOS
Molecular Weight 331.87
AlogP 4.88
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

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 Acetylcholine receptor
- - - 550 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 3.4-960 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 6.4-84 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 0.62-3.4 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0.5-330 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 2.7 -

Cross References

Resources Reference
ChEBI 32316
ChEMBL CHEMBL285802
DrugBank DB09225
DrugCentral 2875
FDA SRS U29O83JAZW
Guide to Pharmacology 103
PDB ZOT
PubChem 5736
SureChEMBL SCHEMBL114409
ZINC ZINC000000002264
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