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Compound Detail

CHEMBL6000330

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COc1ccc(O)c(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12

Basic Information

ChEMBL ID CHEMBL6000330
Phase Preclinical
Structure Type MOL
InChI Key WMHZFMUJBYLENF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
2.60
ALogP
10
HBA
2
HBD
137.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O7S
MW 460.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.06

Activity Summary

Ki 3 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 9.52 9.405 0.3 2
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine