olanzapine   Click here for help

GtoPdb Ligand ID: 47

Synonyms: LY-170053 | Zyprexa®
Approved drug
olanzapine is an approved drug (EMA & FDA (1996))
Compound class: Synthetic organic
Comment: Olanzapine displays affinity for numerous receptors from the serotonin, histamine, alpha adrenergic, dopamine and muscarinic acetylcholine receptor families. Its antipsychotic properties are believed to arise from its antagonism of the dopamine D2 and 5-HT2A receptors.
Marketed formulations may contain olanzapine pamoate (PubChem CID 12085238). Olanzapine is represented on some databases with some of the double bonds in a different position. See CHEBI:7735 and CHEMBL715.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 59.11
Molecular weight 312.14
XLogP 2.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C
Isomeric SMILES CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C
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/h3-6,11,18H,7-10H2,1-2H3
InChI Key WXPNDRBBWZMPQG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (1996))
IUPAC Name Click here for help
2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine
International Nonproprietary Names Click here for help
INN number INN
6956 olanzapine
Synonyms Click here for help
LY-170053 | Zyprexa®
Database Links Click here for help
BindingDB Ligand 50053711
CAS Registry No. 132539-06-1
DrugBank Ligand DB00334
GtoPdb PubChem SID 135650756
PubChem CID 4585
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Wikipedia Olanzapine

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Tocris
Olanzapine
Cat. No. 4349