General
Preferred name
DOCETAXEL HYDRATE
Synonyms
Docetaxel (Trihydrate) ()
RP-56976 (Trihydrate) ()
Docetaxel Trihydrate ()
DOCETAXEL ()
Docetaxel hydrate ()
XRP6976 ()
Taxotere ()
Docetaxel trihydrate ()
Taxespira (previously docetaxel hospira uk limited ) ()
Docetaxel teva ()
Docetaxel (as trihydrate) ()
Taxceus ()
Docetaxel accord ()
Docivyx ()
RP-56976 ()
Beizray ()
RP 56976 ()
Docetaxel zentiva (previously docetaxel winthrop) ()
Docetaxel ()
P&D ID
PD051325
CAS
148408-66-6
Tags
drug
available
Drug Status
approved
Max Phase
4.0
Drug indication
breast carcinoma
First approval
1995
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Docetaxel Trihydrate (RP-56976 Trihydrate) is an antineoplastic agent and inhibits microtubule?depolymerization with an IC50 value of 0.2 ¦ÌM[1]. Docetaxel Trihydrate is a semisynthetic analog of taxol and attenuates the effects of?bcl-2?and?bcl-xL?gene expression. Docetaxel Trihydrate arrests the cell cycle at G2/M and leads to cell apoptosis[1][3].
Cell lines
592
Organisms
1
Compound Sets
6
ChEMBL Approved Drugs
CHEMBL3545252
ChEMBL Drugs
CHEMBL3545252
CZ-OPENSCREEN Bioactive Library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL3545252
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL3545252
MedChem Express Bioactive Compound Library
HY-B0011A
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
861.38
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
5
Rotatable Bonds
8
Ring Count
6
Aromatic Ring Count
2
cLogP
0.79
TPSA
318.95
Fraction CSP3
0.56
Chiral centers
11.0
Largest ring
8.0
QED
0.14
Structural alerts
1
Tubulin modulation
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
Microtubule/Tubulin
Pathway
Cell Cycle/DNA Damage
cytoskeleton
Source data