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Compound Detail

CHEMBL6007870

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CCc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)c3c(OC)cccc3OC)c12

Basic Information

ChEMBL ID CHEMBL6007870
Phase Preclinical
Structure Type MOL
InChI Key FRHQKUFELPXAPU-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
3.45
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 C21H22N4O5S
MW 442.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.51

Activity Summary

Ki 5 meas. best 8.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 8.08 8.08 8.3 1
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.01 8.01 9.9 1
Histone acetyltransferase KAT8
CHEMBL1932912
Ki 5.49 5.49 3260.0 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 5.36 5.36 4340.0 1
Histone acetyltransferase KAT5
CHEMBL5750
Ki 4.9 4.9 12500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine