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Compound Detail

CHEMBL5792567

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COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)c(C3CC3)cc12

Basic Information

ChEMBL ID CHEMBL5792567
Phase Preclinical
Structure Type MOL
InChI Key MJHNXUDLBLHFTD-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
3.77
ALogP
8
HBA
1
HBD
108.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O5S
MW 454.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.37

Activity Summary

Ki 3 meas. best 9.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 9.49 9.49 0.3 1
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 9.05 9.05 0.9 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 7.25 7.25 56.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine