ZOTEPINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05AX11
UNII: U29O83JAZW

Structure
InChI Key HDOZVRUNCMBHFH-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
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(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 8.752
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 602.4 - - 35.8-105.07
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
- - - 180-960 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 11-13 -
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
- - - 0.5-2.7 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 26615-21-4
ChEBI 32316
ChEMBL CHEMBL285802
DrugBank DB09225
DrugCentral 2875
EPA CompTox DTXSID9023756
FDA SRS U29O83JAZW
Guide to Pharmacology 103
PDB ZOT
PubChem 5736
SureChEMBL SCHEMBL114409
ZINC ZINC000000002264
CONTENTS