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Compound Detail

CHEMBL6000207

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COc1cccc(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC)c23)c1

Basic Information

ChEMBL ID CHEMBL6000207
Phase Preclinical
Structure Type MOL
InChI Key NXJRHBCZVUMYJV-UHFFFAOYSA-N
2
Targets
3
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 -1.83

Activity Summary

Ki 3 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.2 8.045 6.2 2
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine