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Compound Detail

CHEMBL5906744

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COc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)c3ccccc3)c12

Basic Information

ChEMBL ID CHEMBL5906744
Phase Preclinical
Structure Type MOL
InChI Key DJLSOCBGCLKGLV-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.88
ALogP
7
HBA
1
HBD
99.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O4S
MW 384.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.78

Activity Summary

Ki 5 meas. best 7.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 7.99 7.99 10.3 1
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 7.22 7.22 60.8 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.05 6.05 900.0 1
Histone acetyltransferase KAT5
CHEMBL5750
Ki 5.22 5.22 5980.0 1
Histone acetyltransferase KAT8
CHEMBL1932912
Ki 4.69 4.69 20600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine