General
Preferred name
DOCETAXEL
Synonyms
DOCETAXEL HYDRATE ()
RP-56976 (Trihydrate) ()
RP56976 (NSC 628503) Trihydrate ()
Docetaxel Trihydrate ()
Docetaxel (Trihydrate) ()
Taxotere ()
CKD-810 ()
Taxceus ()
RP-56976 ()
Bind 014 ()
Docetaxel (as trihydrate) ()
Docefrez ()
NSC-628503 ()
RP 56976 ()
XRP6976 ()
DOCETAXEL ANHYDROUS ()
Docetaxel hydrate ()
Docetaxel trihydrate ()
Docetaxel ()
P&D ID
PD051325
CAS
148408-66-6
Tags
natural product
drug
available
Drug Status
approved
Max Phase
Phase 4
Drug indication
Antineoplastic
First approval
1996
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
591
Organisms
1
Compound Sets
6
ChEMBL Approved Drugs
ChEMBL Drugs
LSP-MoA library (Laboratory of Systems Pharmacology)
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
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 in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Cell Cycle/DNA Damage
cytoskeleton
Target
Bcl-2
Tubulin ??-1 chain
Microtubule/Tubulin
Source data
