General
Preferred name
ENTECAVIR
Synonyms
BMS200475 ()
BMS-200475 ()
Entecavir monohydrate ()
SQ 34676 ()
Entecavir Hydrate ()
ENTECAVIR ANHYDROUS ()
BMS200475,SQ34676 ()
Baraclude ()
SQ-34676 ()
Entecavir hydrate ()
SQ34676 ()
BMS-200475-01 ()
Anhydrous entecavir ()
Entecavir (hydrate) ()
Entecavir-d2 ()
P&D ID
PD010026
CAS
209216-23-9
142217-69-4
Tags
prodrug
natural product
drug
available
Approved by
EMA
FDA
First approval
2005
Drug Status
investigational
approved
Drug indication
Hepatitis B virus infection
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Potent and selective 8-oxoguanine DNA glycosylase 1 (OGG1) inhibitor (Tocris Bioactive Compound Library)
Cell lines
4
Organisms
4
Compound Sets
17
Axon Medchem Screening Library
3239
Cayman Chemical Bioactives
13831
36926
37212
ChEMBL Approved Drugs
CHEMBL713
ChEMBL Drugs
CHEMBL713
Drug Repurposing Hub
DrugBank
DB00442
DrugBank Approved Drugs
DB00442
DrugCentral
1019
DrugCentral Approved Drugs
1019
DrugMAP
DM7VTQO
DrugMAP Approved Drugs
DM7VTQO
NCATS Inxight Approved Drugs
NNU2O4609D
ReFrame library
Selleckchem Bioactive Compound Library
s5246-entecavir
TargetMol Bioactive Compound Library
T0085
The Spectrum Collection
Tocris Bioactive Compound Library
6234
External IDs
56
Properties
(calculated by RDKit )
Molecular Weight
277.12
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
-0.83
TPSA
130.05
Fraction CSP3
0.42
Chiral centers
3.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HBV
HBV( HepG2 cell)
Polymerase inhibitor
Reverse Transcriptase
Pathway
Anti-infection
Microbiology&virology
Primary Target
RNA/DNA Polymerase
MOA
Inhibitor
DNA replication inhibitor, nucleoside reverse transcriptase inhibitor
Indication
hepatitis B
Therapeutic Class
Antiviral Agents
Source data