InChIKey	UZWDCWONPYILKI-UHFFFAOYSA-N
Compound Name	Abemaciclib
Canonical SMILES	CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	47
Pfam Stratification	Cross-Family
Avg pChEMBL	7.17
Source	BindingDB;ChEMBL

DrugBank ID	DB12001
Drug Name	Abemaciclib
CAS Number	1231929-97-7
Groups	approved investigational
ATC Codes	L01EF03
Description	Abemaciclib is an antitumor agent and dual inhibitor of cyclin-dependent kinases 4 (CDK4) and 6 (CDK6) that are involved in the cell cycle and promotion of cancer cell growth in case of unregulated activity. On September 28, 2017, FDA granted approval of abemaciclib treatment under the market name V...

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Categories: Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cyclin-dependent kinase (CDK) inhibitors Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) 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 with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Kinase Inhibitor MATE 1 Inhibitors MATE 1 Substrates MATE 1 Substrates with a Narrow Therapeutic Index MATE 2 Inhibitors MATE inhibitors MATE substrates Narrow Therapeutic Index Drugs OCT2 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Protein Kinase Inhibitors Pyridines

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Cross-references: BindingDB: 50110183 CHEMBL3301610 ChemSpider: 29340700 Drugs Product Database (DPD): 23185 PDB: 6ZV PharmGKB: PA166153471 PubChem:46220502 PubChem:347828320 RxCUI: 1946825 Wikipedia: Abemaciclib ZINC: ZINC000072318121