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Compound Detail

CHEMBL56153

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O=S(=O)(Nc1ccc2c(/C=C/c3ccccc3)cccc2c1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56153
Phase Preclinical
Structure Type MOL
InChI Key VGMFGRCGQUJRPG-MDZDMXLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
5.27
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F3NO2S
MW 377.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Capsid scaffolding protein
CHEMBL3771
 IC50 8.12 8.12 7.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Capsid scaffolding protein IC50 = 7.5 nM 8.12 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 Unchecked 1

Data from ChEMBL 36 via Core Engine