e-Drug3D

1438

RALTEGRAVIR

INN
RALTEGRAVIR

cas 518048-05-0

CLASS

ANTIINFECTIVES
ANTIVIRALS
HUMAN IMMUNODEFICIENCY VIRUS INTEGRASE STRAND TRANSFER INHIBITOR (HIV-1 INSTI)

ROUTE (list)

ORAL

ATC code

J05AR16
J05AJ01

PK parameters

F 60 PERCENT
Tmax 3 HOUR
PPB 83 PERCENT
t1/2 9 HOUR

Solubility

SOLUBLE IN WATER

Target

TARGET INTEGRASE

PDB
4MDB (STRUCTURE OF MOS1 TRANSPOSASE CATALYTIC DOMAIN AND RALTEGRAVIR WITH MG)

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

Download experimental 3D coordinates of RLT with added hydrogens

DrugCentral

Integrase UNIPROT Q7ZJM1 pol

Download SDF file

4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo-

Formula:
C20H21FN6O5

Calculated chemical properties:

MW 444.43
NB_atoms 32
XLogP 0.91
PSA 133.129
NB_HD 3
NB_HA 11
fsp3 0.30
Lipinski(0=no;1=yes) 0

FDA
NDA 022145 (pdf not found) INN (RALTEGRAVIR POTASSIUM) ISENTRESS (MSD SUB MERCK) APPROVAL= AP YEAR= 2007
NDA 203045 (pdf not found) INN (RALTEGRAVIR POTASSIUM) ISENTRESS (MSD SUB MERCK) APPROVAL= AP YEAR= 2011
NDA 205786 (pdf not found) INN (RALTEGRAVIR POTASSIUM) ISENTRESS (MSD SUB MERCK) APPROVAL= AP YEAR= 2013
NDA 206510 (pdf not found) INN (LAMIVUDINE ; RALTEGRAVIR POTASSIUM) DUTREBIS (MERCK SHARP DOHME) APPROVAL= AP YEAR= 2015 DISCONTINUED
NDA 203540 (pdf not found) INN (RALTEGRAVIR POTASSIUM) RALTEGRAVIR POTASSIUM (HETERO LABS LTD III) APPROVAL= AP YEAR= 2024 DISCONTINUED
NDA 217990 (pdf not found) INN (RALTEGRAVIR POTASSIUM) RALTEGRAVIR POTASSIUM (LUPIN LTD) APPROVAL= AP YEAR= 2025