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Compound Detail

CHEMBL5927368

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COc1cc2c(cc1S(=O)(=O)Nc1noc3cc(Cn4cccn4)cc(OC)c13)CCCC2

Basic Information

ChEMBL ID CHEMBL5927368
Phase Preclinical
Structure Type MOL
InChI Key FKKPYHKOEUJLJA-UHFFFAOYSA-N
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
3.77
ALogP
8
HBA
1
HBD
108.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O5S
MW 468.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.49

Activity Summary

Ki 7 meas. best 9.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 9.47 9.265 0.3 2
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 8.75 8.57 1.8 2
Histone acetyltransferase KAT5
CHEMBL5750
Ki 6.82 6.82 150.0 1
Histone acetyltransferase KAT8
CHEMBL1932912
Ki 6.33 6.33 470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine