InChIKey	GXDALQBWZGODGZ-UHFFFAOYSA-N
Compound Name	Astemizole
Canonical SMILES	COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	21
Pfam Stratification	Cross-Family
Avg pChEMBL	6.75
Source	BindingDB;ChEMBL;TTD_MultiTarget

DrugBank ID	DB00637
Drug Name	Astemizole
CAS Number	68844-77-9
Groups	approved withdrawn
ATC Codes	R06AX11
Description	Astemizole is a long-acting, non-sedating second generation antihistamine used in the treatment of allergy symptoms. It was withdrawn from market by the manufacturer in 1999 due to the potential to cause arrhythmias at high doses, especially when when taken with CYP inhibitors or grapefruit juice.

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Categories: Anti-Allergic Agents Antihistamines for Systemic Use BSEP/ABCB11 Substrates BSEP/ABCB11 Substrates with a Narrow Therapeutic Index Benzimidazoles Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Highest Risk QTc-Prolonging Agents Histamine Agents Histamine Antagonists Histamine H1 Antagonists Histamine H1 Antagonists, Non-Sedating Narrow Therapeutic Index Drugs Neurotransmitter Agents P-glycoprotein inhibitors QTc Prolonging Agents

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Cross-references: BindingDB: 24226 ChEBI: 2896 CHEMBL296419 ChemSpider: 2160 Drugs Product Database (DPD): 1879 Guide to Pharmacology: 2603 IUPHAR: 2603 C06832 D00234 PDB: XB7 PharmGKB: PA448498 PubChem:2247 PubChem:46508569 RxCUI: 42328 Therapeutic Targets Database: DAP000326 Wikipedia: Astemizole ZINC: ZINC000000601274