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Compound Detail

CHEMBL5928174

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COc1cc2c(NS(=O)(=O)c3c(OC)cccc3OC)noc2cc1Cn1cccn1

Basic Information

ChEMBL ID CHEMBL5928174
Phase Preclinical
Structure Type MOL
InChI Key OLJUXAPJGMMIKL-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
2.90
ALogP
9
HBA
1
HBD
117.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O6S
MW 444.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.54

Activity Summary

Ki 3 meas. best 9.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 9.59 9.59 0.3 1
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 9.13 9.13 0.7 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine