Compound Detail

CHEMBL484

ADEFOVIR

🧪 Phase III

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🧪 Phase III

Nc1ncnc2c1ncn2CCOCP(=O)(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL484
Name	ADEFOVIR
Phase	Phase III
Structure Type	MOL
InChI Key	SUPKOOSCJHTBAH-UHFFFAOYSA-N
Active Moiety	CHEMBL1162433

Known Names

Adefovir GS 0393 GS-0393 GS0393

Targets

132

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

273.2

MW (Da)

-0.44

ALogP

HBA

HBD

136.4

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product Prodrug

USAN Stem	-vir
USAN Year	1994

Extended Properties

Molecular Formula	C8H12N5O4P
MW	273.19
Aromatic Rings	2
Heavy Atoms	18
NP-Likeness	-0.60

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
DNA polymerase/reverse transcriptase inhibitor	INHIBITOR	DNA polymerase/reverse transcriptase	✓	✓

Indications

Hepatitis B, Chronic Hepatitis B, Chronic HIV Infections

Activity Summary

EC50 98 meas. best 7.08

IC50 33 meas. best 10.62

Ki 1 meas.

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human alphaherpesvirus 2 CHEMBL370	IC50	10.62	7.365	0.0	2
Human alphaherpesvirus 1 CHEMBL377	IC50	10.62	8.66	0.0	2
Human alphaherpesvirus 3 CHEMBL613132	IC50	10.46	10.46	0.0	1
Human betaherpesvirus 5 CHEMBL371	IC50	10.0	10.0	0.1	1
Core antigen CHEMBL1075091	EC50	7.08	7.08	82.7	1
Human immunodeficiency virus 1 CHEMBL378	EC50	6.72	5.6213	190.0	23
Hepatitis B virus CHEMBL613497	IC50	6.7	5.8613	200.0	8
CEM-SS CHEMBL614548	EC50	6.38	6.38	420.0	1
Moloney murine leukemia virus CHEMBL613500	EC50	6.28	6.28	530.0	1
Hepatitis B virus CHEMBL613497	EC50	5.89	5.5693	1300.0	14
C8166 CHEMBL614533	EC50	5.82	5.795	1500.0	2
MT4 CHEMBL388	IC50	5.7	5.445	2000.0	2
HepG2 CHEMBL395	EC50	5.7	5.7	2000.0	1
Moloney murine sarcoma virus CHEMBL613501	EC50	5.68	5.67	2100.0	2
L1210 CHEMBL386	IC50	5.52	5.52	3000.0	1
Porcine endogenous retrovirus CHEMBL613016	EC50	5.47	5.47	3400.0	1
Human alphaherpesvirus 1 CHEMBL377	EC50	5.33	4.665	4700.0	6
Human alphaherpesvirus 3 CHEMBL613132	EC50	5.3	4.8625	5000.0	4
Human alphaherpesvirus 2 CHEMBL370	EC50	5.2	4.8333	6300.0	3
Human immunodeficiency virus 2 CHEMBL380	EC50	5.18	5.1171	6600.0	7
MT4 CHEMBL388	EC50	5.16	4.91	7000.0	4
CCRF-CEM CHEMBL382	EC50	5.16	4.97	7000.0	3
ADMET CHEMBL612558	IC50	5.13	5.12	7450.0	2
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.02	4.85	9500.0	6
HIV-1 protease CHEMBL4296312	EC50	4.8	4.8	16000.0	1
CCRF-CEM CHEMBL382	IC50	4.62	4.62	24000.0	1
Solute carrier family 22 member 6 CHEMBL1641347	IC50	4.55	4.55	28000.0	1
MRC5 CHEMBL614181	EC50	4.53	4.48	29700.0	3
Vero CHEMBL391	EC50	4.49	4.3275	32700.0	4
Capsid scaffolding protein CHEMBL3771	EC50	4.26	4.26	55000.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	EC50	4.26	4.26	55000.0	1
BK polyomavirus CHEMBL4888480	EC50	4.02	4.02	95800.0	1
Cytomegalovirus CHEMBL613134	EC50	4.0	4.0	100000.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	3.7	mL.min-1.kg-1	Homo sapiens
CL	3.7	mL.min-1.kg-1	Homo sapiens
CL	0.4	mL.min-1.kg-1	Homo sapiens
CL	3.7	mL.min-1.kg-1	Homo sapiens
F	7.8	%	Rattus norvegicus
F	1.0	%	Simiiformes
F	11.0	%	Rattus norvegicus
F	1.0	%	Macaca mulatta
F	8.0	%	Rattus norvegicus
Fu	0.96	-	Homo sapiens
Fu	0.96	-	Homo sapiens
MRT	1.9	hr	Homo sapiens
T1/2	72.0	hr	-
T1/2	72.0	hr	-
T1/2	72.0	hr	-
T1/2	1.6	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human alphaherpesvirus 1	IC50	=	0.024	nM	10.62	Antiviral activity against Herpes simplex virus 1	19112024
Human alphaherpesvirus 2	IC50	=	0.024	nM	10.62	Antiviral activity against Herpes simplex virus 2	19112024
Human alphaherpesvirus 3	IC50	=	0.035	nM	10.46	Antiviral activity against Varicella zoster virus	19112024
Human betaherpesvirus 5	IC50	=	0.1	nM	10.0	Antiviral activity against Human cytomegalovirus	19112024
Core antigen	EC50	=	82.7	nM	7.08	Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cell...	28082068
Human immunodeficiency virus 1	EC50	=	190.0	nM	6.72	Antiviral activity against HIV1 clade F isolate 2338 infected in human H9 cells ...	21803462
Hepatitis B virus	IC50	=	200.0	nM	6.7	Antiviral activity against Hepatitis B virus	19112024
Human alphaherpesvirus 1	IC50	=	200.0	nM	6.7	Concentration required to inhibit 50% of cytoplasmic HBV-DNA synthesis	12086499
Human immunodeficiency virus 1	EC50	=	220.0	nM	6.66	Antiviral activity against HIV1 clade G isolate 3187 infected in human H9 cells ...	21803462
Human immunodeficiency virus 1	EC50	=	320.0	nM	6.5	Antiviral activity against HIV1 clade D isolate 1649 infected in human H9 cells ...	21803462
Human immunodeficiency virus 1	EC50	=	320.0	nM	6.5	Antiviral activity against HIV1 clade A/E isolate 2165 infected in human H9 cell...	21803462
CEM-SS	EC50	=	420.0	nM	6.38	Compound was tested for antiviral activity against the CEM-SS cell lines infecte...	8960556
Hepatitis B virus	IC50	=	517.0	nM	6.29	Antiviral activity against HBV infected in human HepG2(2.2.15) cells assessed as...	23353737
Hepatitis B virus	IC50	=	517.0	nM	6.29	Antiviral activity against HBV infected in human HepG2(2.2.15) cells assessed as...	20000776
Moloney murine leukemia virus	EC50	=	530.0	nM	6.28	Inhibition of murine sarcoma virus-induced transformation of mouse embryo fibrob...	18556209
Hepatitis B virus	IC50	=	700.0	nM	6.16	Antiviral activity against HBV	29529501
Human immunodeficiency virus 1	EC50	=	1020.0	nM	5.99	Antiviral activity against HIV1 clade B isolate 2056 infected in human H9 cells ...	21803462
Human immunodeficiency virus 1	EC50	=	1100.0	nM	5.96	Antiviral activity against HIV 1 LAI infected in MT2 cells	21565516
Human immunodeficiency virus 1	EC50	=	1100.0	nM	5.96	Antiviral activity against 125 TCID50 wild type HIV1 LAI infected in human H9 ce...	21803462
Hepatitis B virus	EC50	=	1300.0	nM	5.89	Antiviral activity against wild type Hepatitis B virus infected in human HepG2(2...	21930377

Literature References

PubMed	DOI	Target Context	# Activities
21930377	10.1016/j.bmcl.2011.08.113	Hepatitis B virus	19
21803462	10.1016/j.ejmech.2011.06.034	Human immunodeficiency virus 1	14
8765509	10.1021/jm9601314	MT4	13
15646539	10.1016/s0399-8320(04)95062-2	Unchecked	11
18707089	10.1021/jm800050t	Human betaherpesvirus 5	8
17181162	10.1021/jm060030y	No relevant target	8
20070106	10.1021/jm901371v	Homo sapiens	8
15646539	10.1016/s0399-8320(04)95062-2	NON-PROTEIN TARGET	8
17420214	10.1128/aac.01422-06	Unchecked	7
19072694	10.1021/jm801418v	Hepatitis B virus	6
11606136	10.1021/jm010216r	Unchecked	6
25650312	10.1016/j.bmc.2015.01.020	Hepatitis B virus	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
17420214	10.1128/aac.01422-06	NON-PROTEIN TARGET	4
18426954	10.1124/dmd.108.020479	ADMET	4
17893157	10.1128/aac.00838-07	Unchecked	4
17893157	10.1128/aac.00838-07	Camelpox virus	4
17893157	10.1128/aac.00838-07	ADMET	4
-	10.1016/0960-894X(95)00208-B	Vero	3
37801325	10.1021/acs.jmedchem.3c01145	Unchecked	3

Data from ChEMBL 36 via Core Engine