InChIKey	RCINICONZNJXQF-MZXODVADSA-N
Compound Name	Paclitaxel
Canonical SMILES	CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Cross-Family
Avg pChEMBL	7.19
Source	ChEMBL;BindingDB

DrugBank ID	DB01229
Drug Name	Paclitaxel
CAS Number	33069-62-4
Groups	approved investigational vet_approved
ATC Codes	L01CD01 L01CD51
Description	Paclitaxel is a chemotherapeutic agent marketed under the brand name Taxol among others. Used as a treatment for various cancers, paclitaxel is a mitotic inhibitor that was first isolated in 1971 from the bark of the Pacific yew tree which contains endophytic fungi that synthesize paclitaxel. It is ...

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Categories: Agents Causing Muscle Toxicity Albumins Amino Acids, Peptides, and Proteins Antimitotic Agents Antineoplastic Agents Antineoplastic Agents, Phytogenic Antineoplastic and Immunomodulating Agents BSEP/ABCB11 Inhibitors BSEP/ABCB11 Substrates BSEP/ABCB11 Substrates with a Narrow Therapeutic Index Cardiotoxic antineoplastic agents Cyclodecanes Cycloparaffins Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (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 Inducers Cytochrome P-450 Substrates Cytotoxins Diterpenes Hypotensive Agents Immunosuppressive Agents Microtubule Inhibition Microtubule Inhibitors Mitosis Modulators Myelosuppressive Agents Narrow Therapeutic Index Drugs Neurotoxic agents OATP1B3 substrates P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Proteins Taxane Derivatives Taxoids Terpenes Tubulin Modulators

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Cross-references: BindingDB: 50001839 ChEBI: 45863 CHEMBL428647 ChemSpider: 10368587 Drugs Product Database (DPD): 732 Guide to Pharmacology: 2770 IUPHAR: 2770 C07394 D00491 PDB: TA1 PharmGKB: PA450761 PubChem:36314 PubChem:46506910 RxCUI: 56946 Therapeutic Targets Database: DNC001411 Wikipedia: Paclitaxel ZINC: ZINC000096006020