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Compound Detail

CHEMBL5424909

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CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424909
Phase Preclinical
Structure Type MOL
InChI Key WDLRYMDJCVFNOQ-ZROIWOOFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.07
ALogP
4
HBA
2
HBD
102.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3O4S
MW 331.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 4.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT8
CHEMBL1932912
 IC50 4.26 4.26 54700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone acetyltransferase KAT8 IC50 = 54700.0 nM 4.26 Inhibition of N-terminal 6His tagged KAT8 (173 to 458 residues) (unknown origin)... 37155735

Literature References

PubMed DOI Target Context # Activities
37155735 10.1021/acs.jmedchem.2c01937 Histone acetyltransferase KAT8 1
37155735 10.1021/acs.jmedchem.2c01937 Histone acetyltransferase p300 1
37155735 10.1021/acs.jmedchem.2c01937 Histone acetyltransferase KAT2B 1

Data from ChEMBL 36 via Core Engine