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Compound Detail

CHEMBL5907267

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COc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)c3cc(C)cc(F)c3)c12

Basic Information

ChEMBL ID CHEMBL5907267
Phase Preclinical
Structure Type MOL
InChI Key NJOCRNULHUQEOU-UHFFFAOYSA-N
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
3.33
ALogP
7
HBA
1
HBD
99.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17FN4O4S
MW 416.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.94

Activity Summary

Ki 6 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.19 8.115 6.4 2
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 7.86 7.86 13.8 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.5 6.5 320.0 1
Histone acetyltransferase KAT5
CHEMBL5750
Ki 5.24 5.24 5700.0 1
Histone acetyltransferase KAT8
CHEMBL1932912
Ki 4.9 4.9 12500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine