e-Drug3D

956

TEMSIROLIMUS

INN
TEMSIROLIMUS

cas 162635-04-3

CLASS

ANTINEOPLASTIC AGENTS
TREATMENT OF ADVANCED RENAL CELL CARCINOMA
PROTEIN-PROTEIN INTERACTION INHIBITOR FKBP12 / MTOR (MAMMALIAN TARGET OF RAPAMYCIN)
TREATMENT OF MANTLE CELL LYMPHOMA (MCL) (DRUG FOR RARE DISEASE IN EUROPE)

ROUTE (list)

INTRAVENOUS

ATC code

L01EG01

PK parameters

VD 172 LITER
Cl 16.2 LITER / HOUR
t1/2 17.3 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET FK506 BINDING PROTEIN-12 (FKBP-12)/MTOR COMPLEX

PDB
7SQ9 (CRYO-EM STRUCTURE OF MOUSE TEMSIROLIMUS, PI(3,5)P2-BOUND TRPML1 CHANNEL AT 2.11 ANGSTROM RESOLUTION)

Ligand code = A4I (link to the list of PDB complexes)

Download experimental 3D coordinates of A4I with added hydrogens

DrugCentral

Peptidyl-prolyl cis-trans isomerase FKBP1A UNIPROT P62942 FKBP1A

Download SDF file

Rapamycin, 42-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate]

Formula:
C56H87NO16

Calculated chemical properties:

MW 1030.27
NB_atoms 73
XLogP 5.72
PSA 228.728
NB_HD 4
NB_HA 17
fsp3 0.75
Lipinski(0=no;1=yes) 0

FDA
NDA 022088 (label) INN (TEMSIROLIMUS) TORISEL (PF PRISM CV) APPROVAL= AP YEAR= 2007
NDA 203153 (pdf not found) INN (TEMSIROLIMUS) TEMSIROLIMUS (ACCORD HLTHCARE) APPROVAL= AP YEAR= 2018
NDA 207383 (pdf not found) INN (TEMSIROLIMUS) TEMSIROLIMUS (GLAND) APPROVAL= AP YEAR= 2019