InChIKey	GZOSMCIZMLWJML-VJLLXTKPSA-N
Compound Name	Abiraterone
Canonical SMILES	C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	6.77
Source	ChEMBL;BindingDB

DrugBank ID	DB05812
Drug Name	Abiraterone
CAS Number	154229-19-3
Groups	approved investigational
ATC Codes	L01XK52 L02BX53 L02BX03
Description	Abiraterone is a potent, irreversible, and selective inhibitor of 17 αhydroxylase/C17,20-lyase (CYP17), an enzyme expressed in testicular, adrenal, and prostatic tumour tissues, to regulate androgen biosynthesis.[A3811, A260880, L40968] Abiraterone was first approved by the FDA and EMA on April,[A26...

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Categories: Androstanes Androstenes Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) 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 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Cytochrome P450 17A1 Inhibitors Endocrine Therapy Enzyme Inhibitors Fused-Ring Compounds Hormone Antagonists Hormone Antagonists and Related Agents Hormones, Hormone Substitutes, and Hormone Antagonists OATP1B1/SLCO1B1 Inhibitors P-glycoprotein inhibitors Poly (ADP-ribose) polymerase (PARP) inhibitors Steroid Synthesis Inhibitors Steroids

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Cross-references: BindingDB: 25458 ChEBI: 68642 CHEMBL254328 ChemSpider: 117349 Drugs Product Database (DPD): 20883 D09701 PDB: AER PharmGKB: PA166123407 PubChem:132971 PubChem:175427038 RxCUI: 1100072 Wikipedia: Abiraterone_acetate ZINC: ZINC000003797541