Ligand Id: 34
Ligand name aripiprazole

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 44.81
Molecular weight 447.15
XLogP 4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity Clinical data References Structure Similar ligands Suppliers
Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2002))
DrugBank groups approved
IUPAC Name
7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one
International Nonproprietary Names
INN number INN
7477 aripiprazole
Synonyms
OPC 14597
OPC-14597
Database Links
BindingDB Ligand 50130293
CAS Registry No. 129722-12-9
ChEBI CHEBI:31236
ChEMBL Ligand CHEMBL1112
DrugBank Ligand DB01238
Human Metabolome Database HMDB05042
PharmGKB Drug PA10026
PubChem CID 60795
Search Google for chemical match using the InChIKey CEUORZQYGODEFX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CEUORZQYGODEFX
Search PubMed clinical trials aripiprazole
Search PubMed titles aripiprazole
Search PubMed titles/abstracts aripiprazole
Wikipedia Aripiprazole
ZINC ZINC01851149

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