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Compound Detail

CHEMBL5436305

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

Basic Information

ChEMBL ID CHEMBL5436305
Phase Preclinical
Structure Type MOL
InChI Key RBIKJWZTJKDFGX-GDNBJRDFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.16
ALogP
3
HBA
2
HBD
85.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O3
MW 323.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT8
CHEMBL1932912
 IC50 4.86 4.86 13900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone acetyltransferase KAT8 IC50 = 13900.0 nM 4.86 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