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Compound Detail

CHEMBL5885987

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COc1ccccc1S(=O)(=O)Nc1noc2cc(Cn3nccn3)cc(OC)c12

Basic Information

ChEMBL ID CHEMBL5885987
Phase Preclinical
Structure Type MOL
InChI Key SLLZJLQWFIDXEV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
2.29
ALogP
9
HBA
1
HBD
121.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O5S
MW 415.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.26

Activity Summary

Ki 2 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 8.54 8.54 2.9 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 7.72 7.72 19.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine