e-Drug3D

530

ISOTRETINOIN


INN
ISOTRETINOIN

cas 4759-48-2
CLASS

DERMATOLOGICALS
KERATOLYTIC
ANTI-ACNE AGENTS

ROUTE (list)

ORAL

ATC code

D10AD04
D10BA01
D10AD54

PK parameters

Tmax 5.3 HOUR
Cmax 2.87 MICROMOLAR
PPB 99.9 PERCENT
t1/2 21 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER


Target

TARGET RETINOIC ACID RECEPTOR ALPHA

PDB
1GX9 (BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOIC ACID, TRIGONAL LATTICE Z)

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

Download experimental 3D coordinates of REA with added hydrogens

DrugCentral

Retinoic acid receptor beta UNIPROT P10826 RARB

Download SDF file 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid

Formula:
C20H28O2

Calculated chemical properties:

MW 299.42
NB_atoms 22
XLogP 4.27
PSA 32.883
NB_HD 0
NB_HA 2
fsp3 0.45
Lipinski(0=no;1=yes) 1

FDA
NDA 018662 (label) INN (ISOTRETINOIN) ACCUTANE (HOFFMANN LA ROCHE) APPROVAL= AP YEAR= 1982 DISCONTINUED
NDA 075945 (pdf not found) INN (ISOTRETINOIN) AMNESTEEM (MYLAN PHARMS INC) APPROVAL= AP YEAR= 2002
NDA 076041 (label) INN (ISOTRETINOIN) SOTRET (SUN PHARM INDS LTD) APPROVAL= AP YEAR= 2002 DISCONTINUED
NDA 076135 (pdf not found) INN (ISOTRETINOIN) CLARAVIS (TEVA PHARMS USA) APPROVAL= AP YEAR= 2003
NDA 076356 (pdf not found) INN (ISOTRETINOIN) CLARAVIS (TEVA PHARMS USA) APPROVAL= AP YEAR= 2003
NDA 076503 (pdf not found) INN (ISOTRETINOIN) SOTRET (SUN PHARM INDS LTD) APPROVAL= AP YEAR= 2003 DISCONTINUED
NDA 076485 (pdf not found) INN (ISOTRETINOIN) MYORISAN (UPSHER SMITH LABS) APPROVAL= AP YEAR= 2012
NDA 021951 (label) INN (ISOTRETINOIN) ABSORICA (SUN PHARM INDS INC) APPROVAL= AP YEAR= 2012
NDA 202099 (pdf not found) INN (ISOTRETINOIN) ZENATANE (DR REDDYS LABS LTD) APPROVAL= AP YEAR= 2013
NDA 207792 (pdf not found) INN (ISOTRETINOIN) ISOTRETINOIN (AMNEAL PHARMS NY) APPROVAL= AP YEAR= 2017
NDA 211913 (label) INN (ISOTRETINOIN) ABSORICA LD (SUN PHARM) APPROVAL= AP YEAR= 2019
NDA 205063 (pdf not found) INN (ISOTRETINOIN) ISOTRETINOIN (ACTAVIS LABS FL) APPROVAL= AP YEAR= 2021
NDA 213571 (pdf not found) INN (ISOTRETINOIN) ISOTRETINOIN (UPSHER SMITH LABS) APPROVAL= AP YEAR= 2021
NDA 212333 (pdf not found) INN (ISOTRETINOIN) ISOTRETINOIN (UPSHER SMITH LABS) APPROVAL= AP YEAR= 2021
NDA 211568 (pdf not found) INN (ISOTRETINOIN) ISOTRETINOIN (ZYDUS PHARMS) APPROVAL= AP YEAR= 2023
NDA 218194 (pdf not found) INN (ISOTRETINOIN) ISOTRETINOIN (AUROBINDO PHARMA) APPROVAL= AP YEAR= 2024
NDA 216633 (pdf not found) INN (ISOTRETINOIN) ISOTRETINOIN (ZYDUS PHARMS) APPROVAL= AP YEAR= 2025
NDA 216097 (pdf not found) INN (ISOTRETINOIN) ISOTRETINOIN (AMNEAL PHARMS NY) APPROVAL= AP YEAR= 2025 DISCONTINUED

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL