CLOTHIAPINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII Z05HCY0X1T
EPA CompTox DTXSID5022851

Structure

InChI Key KAAZGXDPUNNEFN-UHFFFAOYSA-N
Smiles 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
Polar Surface Area 18.84
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D4 receptor antagonist 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
- - - 134.9-136 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 4.4-14.13 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0.5888-0.6 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 100-100

Target Conservation

Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3E
Organism : Homo sapiens
A5X5Y0 ENSG00000186038
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3B
Organism : Homo sapiens
O95264 ENSG00000149305
Protein: Dopamine D4 receptor
Description: D(4) dopamine receptor
Organism : Homo sapiens
P21917 ENSG00000069696
Protein: Serotonin 2 (5-HT2) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin 2 (5-HT2) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246
Protein: Serotonin 2 (5-HT2) receptor
Description: 5-hydroxytryptamine receptor 2B
Organism : Homo sapiens
P41595 ENSG00000135914
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3A
Organism : Homo sapiens
P46098 ENSG00000166736
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3D
Organism : Homo sapiens
Q70Z44 ENSG00000186090
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3C
Organism : Homo sapiens
Q8WXA8 ENSG00000178084

Related Entries

Cross References

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