OLANZAPINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05AH03
UNII N7U69T4SZR
EPA CompTox DTXSID9023388

Structure

InChI Key KVWDHTXUZHCGIO-UHFFFAOYSA-N
Smiles Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
InChI
InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N4S
Molecular Weight 312.44
AlogP 3.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Polar Surface Area 30.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
D2-like dopamine receptor antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 63
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 199.53 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 181-231.3 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 2.1-100 89
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 7.3-316.23 82
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 10-173 - 2.1-250 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 13 0.087 0.3-10 89
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 7-100 - 0.42-610 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 958 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 4.1-6.31 -
Homo sapiens
- 7-231.3 0.087 0.42-610 63-89
Mus musculus
10 - - - -
Rattus norvegicus
- 13 - 0.3-958 82
Spodoptera frugiperda
- - - 39 -

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin 2c (5-HT2c) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246

Cross References

Resources Reference
ChEBI 7735
ChEMBL CHEMBL715
DrugBank DB00334
DrugCentral 1982
FDA SRS N7U69T4SZR
Human Metabolome Database HMDB0005012
Guide to Pharmacology 47
KEGG C07322
PubChem 135398745
SureChEMBL SCHEMBL28763
ZINC ZINC000052957434
CONTENTS