e-Drug3D

733

DOCETAXEL


INN
DOCETAXEL

cas 114977-28-5
CLASS

ANTINEOPLASTIC
STABILIZES MICROTUBULES

ROUTE (list)

INJECTION INTRAVENOUS

ATC code

L01CD02

PK parameters

VD 113 LITER
Cl 33.8 LITER / HOUR
PPB 97 PERCENT
t1/2 11 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER


Target

TARGET TUBULIN

PDB
1TUB (TUBULIN ALPHA-BETA DIMER, ELECTRON DIFFRACTION)

Ligand code = TXL (link to the list of PDB complexes)

Download experimental 3D coordinates of TXL with added hydrogens

DrugCentral

Tubulin beta UNIPROT P07437 TUBB

Download SDF file Benzenepropanoic acid, .beta.-[[(1,1-dimethylethoxy)carbonyl]amino]-.alpha.-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (.alpha.R,.beta.S)-

Formula:
C43H53NO14

Calculated chemical properties:

MW 807.86
NB_atoms 58
XLogP 3.26
PSA 191.187
NB_HD 5
NB_HA 15
fsp3 0.56
Lipinski(0=no;1=yes) 0

FDA
NDA 020449 (pdf not found) INN (DOCETAXEL) TAXOTERE (SANOFI AVENTIS US) APPROVAL= AP YEAR= 1996
NDA 022234 (pdf not found) INN (DOCETAXEL) DOCETAXEL (HOSPIRA INC) APPROVAL= AP YEAR= 2011
NDA 022534 (pdf not found) INN (DOCETAXEL) DOCEFREZ (SUN PHARM) APPROVAL= AP YEAR= 2011 DISCONTINUED
NDA 201195 (pdf not found) INN (DOCETAXEL) DOCETAXEL (ACCORD HLTHCARE) APPROVAL= AP YEAR= 2011
NDA 201525 (pdf not found) INN (DOCETAXEL) DOCETAXEL (SANDOZ) APPROVAL= AP YEAR= 2011
NDA 022312 (pdf not found) INN (DOCETAXEL) DOCETAXEL (APOTEX INC) APPROVAL= AP YEAR= 2012 DISCONTINUED
NDA 203551 (pdf not found) INN (DOCETAXEL) DOCETAXEL (ACTAVIS) APPROVAL= AP YEAR= 2013
NDA 202356 (pdf not found) INN (DOCETAXEL) DOCETAXEL (PFIZER LABS) APPROVAL= AP YEAR= 2014 DISCONTINUED
NDA 204193 (pdf not found) INN (DOCETAXEL) DOCETAXEL (DR REDDYS) APPROVAL= AP YEAR= 2014
NDA 203877 (pdf not found) INN (DOCETAXEL) DOCETAXEL (TEVA PHARMS USA) APPROVAL= AP YEAR= 2015 DISCONTINUED
NDA 205934 (pdf not found) INN (DOCETAXEL) DOCETAXEL (SHILPA) APPROVAL= AP YEAR= 2015
NDA 203170 (pdf not found) INN (DOCETAXEL) DOCETAXEL (HENGRUI PHARMA) APPROVAL= AP YEAR= 2017 DISCONTINUED
NDA 206177 (pdf not found) INN (DOCETAXEL) DOCETAXEL (DFB ONCOLOGY LTD) APPROVAL= AP YEAR= 2017 DISCONTINUED
NDA 207252 (pdf not found) INN (DOCETAXEL) DOCETAXEL (HENGRUI PHARMA) APPROVAL= AP YEAR= 2017
NDA 207563 (pdf not found) INN (DOCETAXEL) DOCETAXEL (NOVAST LABS) APPROVAL= AP YEAR= 2017
NDA 208859 (pdf not found) INN (DOCETAXEL) DOCETAXEL (MYLAN LABS LTD) APPROVAL= AP YEAR= 2018
NDA 209640 (pdf not found) INN (DOCETAXEL) DOCETAXEL (AMNEAL) APPROVAL= AP YEAR= 2018
NDA 209634 (pdf not found) INN (DOCETAXEL) DOCETAXEL (MEITHEAL) APPROVAL= AP YEAR= 2018
NDA 210072 (pdf not found) INN (DOCETAXEL) DOCETAXEL (MYLAN LABS LTD) APPROVAL= AP YEAR= 2018
NDA 210848 (pdf not found) INN (DOCETAXEL) DOCETAXEL (MYLAN LABS LTD) APPROVAL= AP YEAR= 2018
NDA 208137 (pdf not found) INN (DOCETAXEL) DOCETAXEL (MYLAN LABS LTD) APPROVAL= AP YEAR= 2019
NDA 210327 (pdf not found) INN (DOCETAXEL) DOCETAXEL (SHILPA) APPROVAL= AP YEAR= 2019
NDA 204490 (pdf not found) INN (DOCETAXEL) DOCETAXEL (HIKMA) APPROVAL= AP YEAR= 2021
NDA 213510 (pdf not found) INN (DOCETAXEL) DOCETAXEL (GLAND) APPROVAL= AP YEAR= 2021
NDA 214575 (pdf not found) INN (DOCETAXEL) DOCETAXEL (EUGIA PHARMA) APPROVAL= AP YEAR= 2021
NDA 215813 (pdf not found) INN (DOCETAXEL) DOCIVYX (AVYXA HOLDINGS) APPROVAL= AP YEAR= 2022
NDA 203892 (pdf not found) INN (DOCETAXEL) DOCETAXEL (PHARMOBEDIENT) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 215744 (pdf not found) INN (DOCETAXEL) DOCETAXEL (ALEMBIC) APPROVAL= AP YEAR= 2023
NDA 216677 (pdf not found) INN (DOCETAXEL) DOCETAXEL (HERITAGE) APPROVAL= AP YEAR= 2024
NDA 218711 (pdf not found) INN (DOCETAXEL) BEIZRAY (ZHUHAI) APPROVAL= AP YEAR= 2024 DISCONTINUED
NDA 213768 (pdf not found) INN (DOCETAXEL) DOCETAXEL (GUANGDONG SUNHO) APPROVAL= AP YEAR= 2025

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL