e-Drug3D

1441

ETRAVIRINE

INN
ETRAVIRINE

cas 269055-15-4

CLASS

ANTIINFECTIVES
ANTIVIRAL
ANTI-HIV
NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS
IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1) NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR (NNRTI)

ROUTE (list)

ORAL

ATC code

J05AG04

PK parameters

Tmax 3.25 HOUR
PPB 99.9 PERCENT
t1/2 41 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER OVER A WIDE PH RANGE

Target

TARGET REVERSE TRANSCRIPTASE

PDB
3MED (HIV-1 K103N REVERSE TRANSCRIPTASE IN COMPLEX WITH TMC125)

Ligand code = 65B (link to the list of PDB complexes)

Download experimental 3D coordinates of 65B with added hydrogens

DrugCentral

Reverse transcriptase,RNaseH UNIPROT Q72547 pol

Download SDF file

Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-

Formula:
C20H15BrN6O

Calculated chemical properties:

MW 435.28
NB_atoms 28
XLogP 4.72
PSA 97.002
NB_HD 3
NB_HA 7
fsp3 0.10
Lipinski(0=no;1=yes) 1

FDA
NDA 022187 (pdf not found) INN (ETRAVIRINE) INTELENCE (JANSSEN R AND D) APPROVAL= AP YEAR= 2008
NDA 214196 (pdf not found) INN (ETRAVIRINE) ETRAVIRINE (AMNEAL) APPROVAL= AP YEAR= 2021
NDA 215402 (pdf not found) INN (ETRAVIRINE) ETRAVIRINE (CARNEGIE) APPROVAL= AP YEAR= 2022