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Compound Detail

CHEMBL4474246

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CCOc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2F)c1

Basic Information

ChEMBL ID CHEMBL4474246
Phase Preclinical
Structure Type MOL
InChI Key ZJNDQHMQCWWBOF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.30
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16F2N2O4S
MW 370.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.97

Activity Summary

IC50 2 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
IC50 7.13 7.13 74.0 1
Unchecked
CHEMBL612545
IC50 7.13 7.13 74.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32118427 10.1021/acs.jmedchem.9b02071 Histone acetyltransferase KAT6A 1

Data from ChEMBL 36 via Core Engine