InChIKey	WDENQIQQYWYTPO-IBGZPJMESA-N
Compound Name	Acalabrutinib
Canonical SMILES	CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	8
Pfam Stratification	Homologous
Avg pChEMBL	7.13
Source	ChEMBL;BindingDB

DrugBank ID	DB11703
Drug Name	Acalabrutinib
CAS Number	1420477-60-6
Groups	approved investigational
ATC Codes	L01EL02
Description	To date, acalabrutinib has been used in trials studying the treatment of B-All, myelofibrosis, ovarian cancer, multiple myeloma, and Hodgkin lymphoma, among others. As of October 31, 2017 the FDA approved Astra Zeneca's orally administered Calquence (acalabrutinib, capsules). This Bruton tyrosine ki...

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Categories: Acids, Carbocyclic Amides Antineoplastic Agents Antineoplastic and Immunomodulating Agents Benzene Derivatives Benzoates Bruton's tyrosine kinase (BTK) inhibitors Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Kinase Inhibitor Narrow Therapeutic Index Drugs Protein Kinase Inhibitors Tyrosine Kinase Inhibitors

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Cross-references: BindingDB: 737806 ChEBI: 167707 CHEMBL3707348 ChemSpider: 36764951 Drugs Product Database (DPD): 23350 PDB: XQQ PubChem:71226662 PubChem:347828068 RxCUI: 1986808 Wikipedia: Acalabrutinib ZINC: ZINC000208774715