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Compound Detail

CHEMBL5930092

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COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)ccc12

Basic Information

ChEMBL ID CHEMBL5930092
Phase Preclinical
Structure Type MOL
InChI Key HRNSZNMFJIJPOT-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
2.89
ALogP
8
HBA
1
HBD
108.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O5S
MW 414.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.75

Activity Summary

Ki 5 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.36 8.36 4.4 1
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 8.3 8.3 5.1 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.35 6.35 450.0 1
Histone acetyltransferase KAT5
CHEMBL5750
Ki 5.52 5.52 3050.0 1
Histone acetyltransferase KAT8
CHEMBL1932912
Ki 5.49 5.49 3260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine