e-Drug3D

1646

M GANCICLOVIR

INN
GANCICLOVIR

cas 86761-38-8

CLASS

ANTIINFECTIVES
ANTIVIRAL
CYTOMEGALOVIRUS (CMV)
HERPES SIMPLEX VIRUS (HSV)
COMPETITIVE INHIBITION OF VIRAL DNA POLYMERASES
INCORPORATION INTO VIRAL DNA RESULTING IN EVENTUAL TERMINATION OF VIRAL DNA ELONGATION
NUCLEOSIDE ANALOGUE

ROUTE (list)

ATC code

J05AB06
S01AD09

PK parameters

Target

PDB
7AOM (STRUCTURE OF NUDT15 IN COMPLEX WITH GANCICLOVIR TRIPHOSPHATE)

Ligand code = RQ2 (link to the list of PDB complexes)

Download experimental 3D coordinates of RQ2 with added hydrogens

DrugCentral

DNA polymerase catalytic subunit UNIPROT P04293

Download SDF file

Triphosphoric acid, P-[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl] ester

Formula:
C9H16N5O13P3

Calculated chemical properties:

MW 491.15
NB_atoms 30
XLogP -4.15
PSA 259.746
NB_HD 4
NB_HA 18
fsp3 0.44
Lipinski(0=no;1=yes) 0

FDA
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