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Compound Detail

CHEMBL5908760

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COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(Cc3ccon3)cc(OC)c12

Basic Information

ChEMBL ID CHEMBL5908760
Phase Preclinical
Structure Type MOL
InChI Key IMBIZIMHRANLQL-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
3.23
ALogP
9
HBA
1
HBD
125.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O7S
MW 445.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.78

Activity Summary

Ki 3 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.72 8.72 1.9 1
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 8.7 8.7 2.0 1
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