e-Drug3D

1644

ADEFOVIR

INN
ADEFOVIR

(is an active metabolite)

cas 106941-25-7

CLASS

ANTIINFECTIVES
ANTIVIRAL AGENTS
REVERSE TRANSCRIPTASE INHIBITORS
TREATMENT OF CHRONIC HEPATITIS B

ROUTE (list)

ATC code

J05AF08

PK parameters

F 59 PERCENT
Tmax 1.75 HOUR
VD 25.4 LITER (65 KILOGRAM)
Cl 14.4 LITER / HOUR (65 KILOGRAM)
PPB 4 PERCENT
t1/2 7.48 HOUR

Target

TARGET HBV REVERSE TRANSCRIPTASE

PDB
2G1A (CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN APHA CLASS B ACID PHOSPHATASE, PHOSPHOTRANSFERASE)

Ligand code = 5HG (link to the list of PDB complexes)

Download experimental 3D coordinates of 5HG with added hydrogens

DrugCentral

Protein P UNIPROT Q9IF40 P

Download SDF file

2-(6-amino-9h-purin-9-yl)ethoxy]methylphosphonic acid

Formula:
C8H12N5O4P

Calculated chemical properties:

MW 271.18
NB_atoms 18
XLogP -1.70
PSA 125.277
NB_HD 2
NB_HA 9
fsp3 0.38
Lipinski(0=no;1=yes) 1

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

904

ADEFOVIR DIPIVOXIL

INN
ADEFOVIR DIPIVOXIL

(has an active metabolite)

cas 142340-99-6

CLASS

ANTIINFECTIVES
ANTIVIRAL AGENTS
REVERSE TRANSCRIPTASE INHIBITORS
TREATMENT OF CHRONIC HEPATITIS B

ROUTE (list)

ORAL

ATC code

J05AF08

PK parameters

Solubility

0.4 MILLIGRAM / MILLILITER AT PH 7.2

Target

TARGET HBV REVERSE TRANSCRIPTASE

DrugCentral

Protein P UNIPROT Q9IF40 P

Download SDF file

[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Formula:
C20H32N5O8P

Calculated chemical properties:

MW 501.48
NB_atoms 34
XLogP 2.70
PSA 158.168
NB_HD 2
NB_HA 13
fsp3 0.65
Lipinski(0=no;1=yes) 0

FDA
NDA 021449 (label) INN (ADEFOVIR DIPIVOXIL) HEPSERA (GILEAD) APPROVAL= AP YEAR= 2002 DISCONTINUED
NDA 202051 (label) INN (ADEFOVIR DIPIVOXIL) ADEFOVIR DIPIVOXIL (SIGMAPHARM LABS LLC) APPROVAL= AP YEAR= 2013
NDA 205459 (pdf not found) INN (ADEFOVIR DIPIVOXIL) ADEFOVIR DIPIVOXIL (APOTEX) APPROVAL= AP YEAR= 2018