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Compound Detail

CHEMBL5883288

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COc1cc(C)ccc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12

Basic Information

ChEMBL ID CHEMBL5883288
Phase Preclinical
Structure Type MOL
InChI Key CXLXWUWIWQFDMI-UHFFFAOYSA-N
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.20
ALogP
8
HBA
1
HBD
108.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O5S
MW 428.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.79

Activity Summary

Ki 6 meas. best 9.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 9.31 9.125 0.5 2
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 8.88 8.88 1.3 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 7.4 7.4 40.0 1
Histone acetyltransferase KAT5
CHEMBL5750
Ki 6.75 6.75 180.0 1
Histone acetyltransferase KAT8
CHEMBL1932912
Ki 6.25 6.25 560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine