InChIKey	ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Compound Name	Docetaxel
Canonical SMILES	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	19
Pfam Stratification	Cross-Family
Avg pChEMBL	7.12
Source	BindingDB;ChEMBL

DrugBank ID	DB01248
Drug Name	Docetaxel
CAS Number	114977-28-5
Groups	approved investigational
ATC Codes	L01CD02
Description	Docetaxel is a clinically well established anti-mitotic chemotherapy medication used for the treatment of different types of cancer, including breast, ovarian, and non-small cell lung cancer. Docetaxel is a complex diterpenoid molecule and a semisynthetic analogue of [paclitaxel].[A259676,L46466] Do...

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Categories: Agents Causing Muscle Toxicity Antimitotic Agents Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Substrates Cardiotoxic antineoplastic agents Cyclodecanes Cycloparaffins 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 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 Cytotoxins Diterpenes Hepatotoxic Agents Immunosuppressive Agents Microtubule Inhibition Microtubule Inhibitors Mitosis Modulators Myelosuppressive Agents Narrow Therapeutic Index Drugs OATP1B3 substrates P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Taxane Derivatives Taxoids Terpenes Tubulin Modulators

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Cross-references: BindingDB: 36351 ChEBI: 4672 CHEMBL92 ChemSpider: 130581 Drugs Product Database (DPD): 157 C11231 D02165 PDB: TXL PharmGKB: PA449383 PubChem:148124 PubChem:46506766 RxCUI: 1299922 Therapeutic Targets Database: DAP000590 Wikipedia: Docetaxel ZINC: ZINC000085537053