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Compound Detail

CHEMBL5723365

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Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2cccc(O)c2)c1F

Basic Information

ChEMBL ID CHEMBL5723365
Phase Preclinical
Structure Type MOL
InChI Key KVJFJJXCBRSCDY-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.13
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug Chemical Probe

Extended Properties

Molecular Formula C20H17FN2O4S
MW 400.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.27

Activity Summary

IC50 2 meas. best 7.77
Kd 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Kd 8.15 8.15 7.0 1
Histone acetyltransferase KAT6A
CHEMBL3774298
IC50 7.77 7.77 17.0 1
Histone acetyltransferase KAT7
CHEMBL3774299
IC50 7.52 7.52 30.0 1
Histone acetyltransferase KAT7
CHEMBL3774299
Kd 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5723035 Histone acetyltransferase KAT7 2
- 10.6019/CHEMBL5723035 Histone acetyltransferase KAT6A 2

Data from ChEMBL 36 via Core Engine