docetaxel

Ligand id: 6809

Name: docetaxel

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Structure and Physico-chemical Properties

2D Structure
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 4.57
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996), EMA (1995))
International Nonproprietary Names
INN number INN
6621 docetaxel
Synonyms
Docecad® | docetaxel anhydrous | EmDOC | Taxotere®
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
Search Google for chemicals with the same backbone ZDZOTLJHXYCWBA
Search PubMed clinical trials docetaxel
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Search UniChem for chemical match using the InChIKey ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Search UniChem for chemicals with the same backbone ZDZOTLJHXYCWBA
Wikipedia Docetaxel
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.