e-Drug3D

1670

M ACYCLOVIR

INN
ACYCLOVIR

cas 66341-18-2

CLASS

ANTIINFECTIVES
ANTIVIRAL AGAINST HERPES SIMPLEX VIRUS TYPES 1 (HSV-1), TYPES 2 (HSV-2) AND VARICELLA-ZOSTER VIRUS (VZV)

ROUTE (list)

ATC code

D06BB03

PK parameters

Target

TARGET DNA POLYMERASE

PDB
8V1T (HERPES SIMPLEX VIRUS 1 POLYMERASE HOLOENZYME BOUND TO DNA AND ACYCLOVIR TRIPHOSPHATE IN CLOSED CONFORMATION)

Download experimental 3D coordinates of AVP with added hydrogens

DNA polymerase catalytic subunit UNIPROT P04293

DNA polymerase catalytic subunit UNIPROT P09252

Download SDF file

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

Formula:
C8H14N5O12P3

Calculated chemical properties:

MW 461.12
NB_atoms 28
XLogP -3.51
PSA 243.978
NB_HD 3
NB_HA 17
fsp3 0.38
Lipinski(0=no;1=yes) 0

FDA
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