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Compound Detail

CHEMBL6018281

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COC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2c1CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6018281
Phase Preclinical
Structure Type MOL
InChI Key VRENBSJHFXCPFQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
3.14
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClFN2O4
MW 378.79
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.96 7.96 11.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 11.1 nM 7.96 HBV DNA Quantification Assay: A HepG2 cell line overexpressing the HBV virus att... -

Data from ChEMBL 36 via Core Engine