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Compound Detail

CHEMBL293262

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O=C(O)c1ccc(CNc2ccc3c(COc4ccc(Br)cc4)cccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293262
Phase Preclinical
Structure Type MOL
InChI Key BBZJDFRWBQBJML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

462.3
MW (Da)
6.49
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20BrNO3
MW 462.34
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Capsid scaffolding protein
CHEMBL3771
 IC50 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Capsid scaffolding protein IC50 = 2.8 nM 8.55 Inhibitory concentration against HCMV protease. 15055990

Literature References

PubMed DOI Target Context # Activities
15055990 10.1021/jm030540h Capsid scaffolding protein 1
15055990 10.1021/jm030540h Serine protease 1 1
15055990 10.1021/jm030540h Unchecked 1

Data from ChEMBL 36 via Core Engine