ADEFOVIR


Synonyms	Adefovir GS 0393 GS-0393
Status
Molecule Category	Free-form
UNII	6GQP90I798
EPA CompTox	DTXSID6046214


InChI Key	SUPKOOSCJHTBAH-UHFFFAOYSA-N
Smiles	Nc1ncnc2c1ncn2CCOCP(=O)(O)O
InChI	InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)

Property Name	Value
Molecular Formula	C8H12N5O4P
Molecular Weight	273.19
AlogP	-0.44
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	136.38
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	18.0

Mechanism of Action	Action	Reference
DNA polymerase/reverse transcriptase inhibitor	INHIBITOR	FDA

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Structural protein	82.7	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Hepatitis B virus	82.7	200-700	-	-	-
Homo sapiens	420	-	-	-	-
Human herpesvirus 1	-	0.024-200	-	-	-
Human herpesvirus 2	-	0.024	-	-	-
Human herpesvirus 3	-	0.035	-	-	-
Human herpesvirus 5	-	0.1	-	-	-
Human immunodeficiency virus 1	190-320	0.0033	-	-	-
Human immunodeficiency virus 2	-	0.0066	-	-	-
Moloney murine leukemia virus	530	-	-	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
CAS NUMBER	106941-25-7
ChEBI	2469
ChEMBL	CHEMBL484
DrugBank	DB13868
FDA SRS	6GQP90I798
KEGG	C11277
PDB	5HG
PubChem	60172
SureChEMBL	SCHEMBL49373
ZINC	ZINC000021297308

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

ADEFOVIR

Structure

Physicochemical Descriptors

Pharmacology

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