docetaxel

Ligand id: 6809

Name: docetaxel

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 14
Topological polar surface area 224.45
Molecular weight 807.35
XLogP 2.4
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996), EMA (1995))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
International Nonproprietary Names
INN number INN
6621 docetaxel
Synonyms
Docecad® | docetaxel anhydrous | EmDOC | Taxotere®
Comments
Docetaxel is a pan tubulin inhibitor which is a semi-synthetic analogue of paclitaxel (taxol), an extract from the bark of the rare Pacific yew tree Taxus brevifolia.
Database Links
CAS Registry No. 114977-28-5
ChEBI CHEBI:4672
ChEMBL Ligand CHEMBL92
DrugBank Ligand DB01248
GtoPdb PubChem SID 178103415
PubChem CID 148124
RCSB PDB Ligand TXL
Search Google for chemical match using the InChIKey ZDZOTLJHXYCWBA-VCVYQWHSSA-N
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Search UniChem for chemical match using the InChIKey ZDZOTLJHXYCWBA-VCVYQWHSSA-N
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Wikipedia Docetaxel

Product suppliers

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Tocris
Docetaxel
Cat. No. 4056