cabazitaxel   Click here for help

GtoPdb Ligand ID: 6798

Synonyms: Jevanta® | taxoid XRP6258 | TXD 258 | XRP-6258
Approved drug
cabazitaxel is an approved drug (FDA (2010), EMA (2011))
Compound class: Synthetic organic
Comment: Cabazitaxel is a pan tubulin inhibitor of the taxane class of compounds.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 15
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 202.45
Molecular weight 835.38
XLogP 3.01
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES COC1C(=O)C2(C)C(OC)CC3C(C2C(C2(C(C1=C(C)C(OC(=O)C(C(c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Isomeric SMILES CO[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
InChI InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
InChI Key BMQGVNUXMIRLCK-OAGWZNDDSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2010), EMA (2011))
International Nonproprietary Names Click here for help
INN number INN
8967 cabazitaxel
Synonyms Click here for help
Jevanta® | taxoid XRP6258 | TXD 258 | XRP-6258
Database Links Click here for help
CAS Registry No. 183133-96-2
ChEMBL Ligand CHEMBL1201748
DrugBank Ligand DB06772
DrugCentral Ligand 4153
GtoPdb PubChem SID 178103404
PubChem CID 9854073
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Wikipedia Cabazitaxel