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Compound Detail

CHEMBL5929534

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COc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)c3ccc(OC4CC4)cc3)c12

Basic Information

ChEMBL ID CHEMBL5929534
Phase Preclinical
Structure Type MOL
InChI Key PQJJWKAUQFLWKO-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.42
ALogP
8
HBA
1
HBD
108.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O5S
MW 440.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.41

Activity Summary

Ki 3 meas. best 8.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.33 8.17 4.6 2
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine