Ligand Id: 2603
Ligand name astemizole

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 42.32
Molecular weight 458.25
XLogP 6.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
Approved drug? Yes (source: DrugBank)
Withdrawn drug? Yes
DrugBank groups approved; withdrawn
IUPAC Name
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
International Nonproprietary Names
INN number INN
4755 astemizole
Database Links
BindingDB Ligand 24226
CAS Registry No. 68844-77-9 (source: DrugBank)
ChEBI CHEBI:2896
ChEMBL Ligand 165605
DrugBank Ligand DB00637
PharmGKB Drug PA448498
PubChem CID 2247
Search on ChemSpider GXDALQBWZGODGZ-UHFFFAOYSA-N
Wikipedia Astemizole
ZINC ZINC00601274

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org