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Compound Detail

CHEMBL5402825

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O=C(O)c1ccc(N2N=C(Cc3ccccc3)/C(=C/c3ccc[nH]3)C2=O)cc1

Basic Information

ChEMBL ID CHEMBL5402825
Phase Preclinical
Structure Type MOL
InChI Key OJIZHICJNUYOGU-RGEXLXHISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.74
ALogP
3
HBA
2
HBD
85.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N3O3
MW 371.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT8
CHEMBL1932912
IC50 4.55 4.55 28100.0 1

Activity Data Samples

Top measurements by pChEMBL value

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