CLOZAPINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05AH02
UNII J60AR2IKIC
EPA CompTox DTXSID5022855

Structure

InChI Key QZUDBNBUXVUHMW-UHFFFAOYSA-N
Smiles CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
InChI
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19ClN4
Molecular Weight 326.83
AlogP 3.72
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 30.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST ISBN PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 12
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 21
Enzyme Lyase
- 140 - - -
Enzyme Transferase
- - - - 90
Enzyme
- 140 - - 12
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 32-398.11 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 190.55-901 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 9.4-180 - 0.98-100 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 4-160 37.15-512.86 1.4-230 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 9-890 - 7.11-960 25-25
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 9-23 3.1-70.2 1-631 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 3-600 0.6918-169.82 1.4-710 97.6-103.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 390-697 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 86.29-93.38
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 47.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 180-840 - 5.012-420 -
Canis lupus familiaris
- - - - 27.4
Cavia porcellus
- - - 3.8-12.2 -
Chlorocebus aethiops
- - - 254 -
Cricetulus griseus
- - - - 86.29-93.38
Homo sapiens
- 9-901 3.1-70.2 1-960 12-103.5
Mus musculus
10 290 - 32 0-324
Oryctolagus cuniculus
- - 37.15 - -
Rattus norvegicus
- 7.8-600 0.6918-775 1.4-697 0-44
Spodoptera frugiperda
- - - 319 -
Sus scrofa
- - - 420 -
monkey
- - - 254-466 -

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 3766
ChEMBL CHEMBL42
DrugBank DB00363
DrugCentral 722
FDA SRS J60AR2IKIC
Human Metabolome Database HMDB0014507
Guide to Pharmacology 38
KEGG C06924
PubChem 135398737
SureChEMBL SCHEMBL8397
ZINC ZINC000019796155
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