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Compound Detail

CHEMBL5924783

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COc1ccc2c(c1S(=O)(=O)Nc1noc3cc(Cn4cccn4)cc(OC)c13)CCCC2

Basic Information

ChEMBL ID CHEMBL5924783
Phase Preclinical
Structure Type MOL
InChI Key LTXGLTJTRWUTOU-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
3.77
ALogP
8
HBA
1
HBD
108.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O5S
MW 468.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.30

Activity Summary

Ki 5 meas. best 8.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 8.94 8.94 1.1 1
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.91 8.91 1.2 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.92 6.92 120.0 1
Histone acetyltransferase KAT8
CHEMBL1932912
Ki 6.08 6.08 830.0 1
Histone acetyltransferase KAT5
CHEMBL5750
Ki 5.99 5.99 1030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine