ADEFOVIR

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6GQP90I798

Structure
InChI Key SUPKOOSCJHTBAH-UHFFFAOYSA-N
Smile 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)

Physicochemical Descriptors

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

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA polymerase/reverse transcriptase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
55000 - - - -
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily
16000 - - - -
Enzyme Protease Serine protease Serine protease SH clan Serine protease S21 family
55000 - - - -
Enzyme Transferase
5.4-18 3200000 - - 14.69-41.81
Enzyme
5.4-18 3200000 - 3000000 14.69-41.81
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -10.91-7.2
Structural protein
82.7 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 28000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 3 D019694 ClinicalTrials
Hepatitis B, Chronic 3 D019694 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 106941-25-7
ChEBI 2469
ChEMBL CHEMBL484
DrugBank DB13868
EPA CompTox DTXSID6046214
FDA SRS 6GQP90I798
KEGG C11277
PDB 5HG
PubChem 60172
SureChEMBL SCHEMBL49373
ZINC ZINC000021297308
CONTENTS