General
Preferred name
DOCETAXEL
Synonyms
DOCETAXEL HYDRATE ()
RP-56976 ()
NSC 628503 ()
RP-56976 (Trihydrate) ()
RP56976 (NSC 628503) Trihydrate ()
Taxotere ()
Docetaxel Trihydrate ()
Docetaxel (Taxotere) ()
DOCETAXEL ANHYDROUS ()
TXT ()
RP 56976 ()
Docetaxel (Trihydrate) ()
Docetaxel kabi ()
Docetaxel accord ()
Docetaxel winthrop ()
NSC-628503 ()
Docetaxel teva ()
Docetaxel teva pharma ()
RP56976 ()
CKD-810 ()
Bind 014 ()
Docetaxel, anhydrous ()
Cabazitaxel metabolite (rp56976) ()
Docetaxel mylan ()
XRP6976 ()
Taxceus ()
Docetaxel zentiva (previously docetaxel winthrop) ()
Docetaxel hydrate ()
Docetaxel trihydrate ()
Docefrez ()
Docetaxel (as trihydrate) ()
Docetaxel ()
Docetaxel (hydrate) ()
P&D ID
PD004088
CAS
114977-28-5
148408-66-6
114915-20-7
700367-34-6
Tags
available
nuisance
drug
probe
Approved by
FDA
EMA
First approval
1996
1995
Drug indication
Solid tumour/cancer
Antineoplastic
Drug Status
withdrawn
approved
investigational
Max Phase
4.0
Probe info
Probe type
calculated probe
Probe sources
Probe Miner (suitable probes)
Probe targets
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 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. (GtoPdb)
DESCRIPTION Inhibitor of RNA helicase A (RHA) (Tocris Bioactive Compound Library)
Cell lines
608
Organisms
1
Compound Sets
34
AdooQ Bioactive Compound Library
A10326
Cayman Chemical Bioactives
11637
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CHEMBL92
CHEMBL3545252
ChEMBL Drugs
CHEMBL92
CHEMBL3545252
Concise Guide to Pharmacology 2017/18
6809
Concise Guide to Pharmacology 2019/20
6809
Concise Guide to Pharmacology 2021/22
6809
Concise Guide to Pharmacology 2023/24
6809
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB01248
DrugBank Approved Drugs
DB01248
DrugCentral
939
DrugCentral Approved Drugs
939
DrugMAP
DMDI269
DrugMAP Approved Drugs
DMDI269
Enamine BioReference Compounds
Guide to Pharmacology
6809
LINCS compound set
10247-101
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL3545252
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL3545252
Mcule NIBR MoA Box Subset
MCULE-3253978556
MedChem Express Bioactive Compound Library
HY-B0011
HY-B0011A
NCATS Inxight Approved Drugs
699121PHCA
NIH Approved Oncology Drugs
494081
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
Probe Miner (suitable probes)
P52732/981676
ReFrame library
TargetMol Bioactive Compound Library
T1034
T0186
Tocris Bioactive Compound Library
4056
Welcome Trust Cancer Drugs
1007
Withdrawn 2.0
EMA10
External IDs
70
Properties
(calculated by RDKit )
Molecular Weight
807.35
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
5
Rotatable Bonds
8
Ring Count
6
Aromatic Ring Count
2
cLogP
3.26
TPSA
224.45
Fraction CSP3
0.56
Chiral centers
11.0
Largest ring
8.0
QED
0.15
Structural alerts
1
Tubulin modulation
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Pathway
cytoskeleton
Cytoskeletal Signaling
Apoptosis
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Target
Microtubules
Tubulin
Microtubule
Bcl-2
Tubulin ??-1 chain
BCL2, MAP2, MAP4, MAPT, NR1I2, TUBA1A, TUBA1B, TUBA1C, TUBA3C, TUBA3D, TUBA3E, TUBA4A, TUBB, TUBB1, TUBB2A, TUBB2B, TUBB3, TUBB4A, TUBB4B, TUBB6, TUBB8
Endogenous Metabolite
Microtubule/Tubulin
MOA
tubulin depolymerization inhibitor
Microtubule stabilizer
tubulin polymerization inhibitor
Member status
virtual
Indication
breast cancer, non-small cell lung cancer (NSCLC), prostate cancer, gastric adenocarcinoma, head and neck squamous cell carcinoma (HNSCC)
ATC
L01CD02
Therapeutic Class
Anticancer Agents
Source data