e-Drug3D

1914

BALOXAVIR

INN
BALOXAVIR

(is an active metabolite)

cas 1985605-59-1

CLASS

ANTIINFECTIVES
PRODRUG
POLYMERASE ACIDIC (PA) ENDONUCLEASE INHIBITOR
TREATMENT OF ACUTE UNCOMPLICATED INFLUENZA

ROUTE (list)

ATC code

J05AX25

PK parameters

Tmax 4 HOUR
VD 1180 LITER
Cl 10.3 LITER / HOUR
PPB 93.4 PERCENT
t1/2 79.1 HOUR

Target

TARGET POLYMERASE ACIDIC PROTEIN

PDB
6FS6 (INFLUENZA A, CALIFORNIA 04 2009 (PH1N1) ENDONUCLEASE)

Ligand code = E4Z (link to the list of PDB complexes)

Download experimental 3D coordinates of E4Z with added hydrogens

DrugCentral

Polymerase acidic protein UNIPROT P03433

Download SDF file

1H-[1,4]Oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione, 12-[(11S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-3,4,12,12a-tetrahydro-7-hydroxy-, (12aR)-

Formula:
C24H19F2N3O4S

Calculated chemical properties:

MW 483.49
NB_atoms 34
XLogP 2.98
PSA 71.921
NB_HD 1
NB_HA 7
fsp3 0.25
Lipinski(0=no;1=yes) 1

FDA
-