e-Drug3D

695

ZALCITABINE

DISCONTINUED

INN
ZALCITABINE

(has an active metabolite)

cas 7481-89-2

CLASS

ANTIINFECTIVES
ANTI-HIV AGENTS
ANTIMETABOLITES
NUCLEOSIDE AND NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS

ROUTE (list)

ORAL

ATC code

J05AF03

PK parameters

F 80 PERCENT
Tmax 0.8 HOUR
Cmax 119.4 NANOMOLAR
VD 34.7 LITER (65 KILOGRAM)
Cl 17.1 LITER / HOUR
t1/2 2 HOUR

Solubility

76.4 MILLIGRAM / MILLILITER IN WATER

Target

TARGET DEOXYCYTIDINE KINASE

PDB
2VP9 (STRUCTURAL STUDIES OF NUCLEOSIDE ANALOG AND FEEDBACK INHIBITOR BINDING TO DROSOPHILA MELANOGASTER MULTISUBSTRATE DEOXYRIBONUCLEOSIDE KINASE)

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

Download experimental 3D coordinates of DOC with added hydrogens

DrugCentral

Reverse transcriptase,RNaseH UNIPROT Q72547 pol

Download SDF file

4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Formula:
C9H13N3O3

Calculated chemical properties:

MW 211.22
NB_atoms 15
XLogP -0.50
PSA 83.601
NB_HD 3
NB_HA 6
fsp3 0.56
Lipinski(0=no;1=yes) 1

FDA
NDA 020199 (label) INN (ZALCITABINE) HIVID (ROCHE) APPROVAL= AP YEAR= 1992 NEWMOLECULARENTITY DISCONTINUED