e-Drug3D

801

THALIDOMIDE

INN
THALIDOMIDE

cas 50-35-1

CLASS

ANTINEOPLASTIC
MULTIPLE MYELOMA (MM)
HYPNOTIC
ANXIOLYTIC
ANGIOGENESIS INHIBITORS
IMMUNOSUPPRESSIVE AGENTS
LEPROSTATIC AGENTS
TERATOGENS
ERYTHEMA NODOSUM LEPROSUM
POSSESSES IMMUNOMODULATORY, ANTIINFLAMMATORY AND ANTIANGIOGENIC PROPERTIES

ROUTE (list)

ORAL

ATC code

L04AX02

PK parameters

Tmax 4.3 HOUR
VD 61.7 LITER (65 KILOGRAM)
Cl 8 LITER / HOUR
PPB 55 PERCENT
t1/2 7.29 HOUR

Solubility

SPARINGLY SOLUBLE IN WATER

Target

PDB
5AMH (CEREBLON ISOFORM 4 FROM MAGNETOSPIRILLUM GRYPHISWALDENSE IN COMPLEX WITH THALIDOMIDE, TRIGONAL CRYSTAL FORM)

Ligand code = EF2 (link to the list of PDB complexes)

Download experimental 3D coordinates of EF2 with added hydrogens

DrugCentral

Protein cereblon UNIPROT Q96SW2 CRBN

Download SDF file

2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Formula:
C13H10N2O4

Calculated chemical properties:

MW 258.23
NB_atoms 19
XLogP 0.09
PSA 80.222
NB_HD 1
NB_HA 6
fsp3 0.23
Lipinski(0=no;1=yes) 1

FDA
NDA 020785 (label) INN (THALIDOMIDE) THALOMID (BRISTOL-MYERS) APPROVAL= AP YEAR= 1998
NDA 021430 (label) INN (THALIDOMIDE) THALOMID (CELGENE) APPROVAL= AP YEAR= 2006 NEWAPPLICATION
NDA 213267 (pdf not found) INN (THALIDOMIDE) THALIDOMIDE (NATCO) APPROVAL= AP YEAR= 2023