e-Drug3D

1272

DELAVIRDINE

DISCONTINUED

INN
DELAVIRDINE

cas 136817-59-9

CLASS

ANTIINFECTIVES
NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR (NNRTI) OF HIV-1
ANTIVIRAL

ROUTE (list)

ORAL

ATC code

J05AG02

PK parameters

F 85 PERCENT
Tmax 1 HOUR
PPB 98 PERCENT
t1/2 5.8 HOUR (400 MILLIGRAM)

Solubility

0.81 MICROGRAM PER MILLILITER (PH=7.4)

Target

TARGET NON-NUCLEOSIDE REVERSE TRANSCRIPTASE (IC50=38 NANOMOLAR)
GAG-POL POLYPROTEIN

PDB
1KLM (HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH BHAP U-90152)

Download experimental 3D coordinates of SPP with added hydrogens

Reverse transcriptase,RNaseH UNIPROT Q72547 pol

Download SDF file

N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

Formula:
C22H28N6O3S

Calculated chemical properties:

MW 456.57
NB_atoms 32
XLogP 2.72
PSA 103.422
NB_HD 3
NB_HA 9
fsp3 0.36
Lipinski(0=no;1=yes) 1

FDA
NDA 020705 (label) INN (DELAVIRDINE MESYLATE) RESCRIPTOR (VIIV HLTHCARE) APPROVAL= AP YEAR= 1997 NEWMOLECULARENTITY DISCONTINUED