e-Drug3D

1912

DORAVIRINE

INN
DORAVIRINE

cas 1338225-97-0

CLASS

ANTIINFECTIVES
ANTIRETROVIRAL DRUG
A PYRIDINONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR (NNRTI)
TREATMENT OF HIV-1 INFECTION

ROUTE (list)

ORAL

ATC code

J05AG06
J05AR24

PK parameters

F 64 PERCENT
Tmax 2 HOUR
VD 60.5 LITER
Cl 6.36 LITER / HOUR
PPB 76 PERCENT
t1/2 15 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET HIV-1 REVERSE TRANSCRIPTASE

PDB
4NCG (HIV NON-NUCLEOSIDE REVERSE TRANSCRIPTASE)

Ligand code = 2KW (link to the list of PDB complexes)

Download experimental 3D coordinates of 2KW with added hydrogens

DrugCentral

Reverse transcriptase,RNaseH UNIPROT Q72547 pol

Download SDF file

Benzonitrile, 3-chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-

Formula:
C17H11ClF3N5O3

Calculated chemical properties:

MW 425.76
NB_atoms 29
XLogP 2.65
PSA 92.919
NB_HD 1
NB_HA 8
fsp3 0.18
Lipinski(0=no;1=yes) 1

FDA
NDA 210806 (label) INN (DORAVIRINE) PIFELTRO (MSD MERCK CO) APPROVAL= AP YEAR= 2018 NEWMOLECULARENTITY
NDA 210807 (label) INN (DORAVIRINE ; LAMIVUDINE ; TENOFOVIR DISOPROXIL FUMARATE) DELSTRIGO (MSD MERCK CO) APPROVAL= AP YEAR= 2018