InChIKey	STUWGJZDJHPWGZ-LBPRGKRZSA-N
Compound Name	Alpelisib
Canonical SMILES	Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Cross-Family
Avg pChEMBL	7.06
Source	ChEMBL;BindingDB

DrugBank ID	DB12015
Drug Name	Alpelisib
CAS Number	1217486-61-7
Groups	approved investigational
ATC Codes	L01EM03
Description	Alpelisib is a phosphatidylinositol 3-kinase (PI3K) inhibitor with potent antitumor activity. It works by selectively inhibiting class I PI3K p110α [A179203], which is the catalytic subunit of PI3K, a lipid kinase that plays a role in various biological processes, including proliferation, survival, ...

---

Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Breast Neoplasms Class I Phosphatidylinositol 3-Kinases, antagonists & inhibitors Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (moderate) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (moderate) Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (weak) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) 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 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Kinase Inhibitor Narrow Therapeutic Index Drugs P-glycoprotein inhibitors Phosphatidylinositol 3-Kinases, antagonists & inhibitors Phosphatidylinositol-3-kinase (Pi3K) inhibitors Protein Kinase Inhibitors Sulfur Compounds

---

Cross-references: BindingDB: 738244 ChEBI: 93752 CHEMBL2396661 ChemSpider: 28424123 Drugs Product Database (DPD): 23434 PDB: 1LT PubChem:56649450 PubChem:347828332 RxCUI: 2169285 Wikipedia: Phosphoinositide_3-kinase_inhibitor ZINC: ZINC000068198368