CLOTHIAPINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z05HCY0X1T

Structure
InChI Key KAAZGXDPUNNEFN-UHFFFAOYSA-N
Smile CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1
InChI
InChI=1S/C18H18ClN3S/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 C18H18ClN3S
Molecular Weight 343.88
AlogP 4.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 18.84
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D4 receptor antagonist PubMed PubMed PubMed PubMed PubMed Other
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
- - - 135-136 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 14-14 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31424
ChEMBL CHEMBL304902
DrugBank DB13256
DrugCentral 717
EPA CompTox DTXSID5022851
FDA SRS Z05HCY0X1T
PubChem 16351
SureChEMBL SCHEMBL122941
ZINC ZINC000026185346
CONTENTS