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Compound Detail

CHEMBL5976778

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COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cc(O)cn3)cc(OC)c12

Basic Information

ChEMBL ID CHEMBL5976778
Phase Preclinical
Structure Type MOL
InChI Key MOCOSJHEMCJMFN-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 -0.94

Activity Summary

Ki 3 meas. best 8.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.51 8.355 3.1 2
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine