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Compound Detail

CHEMBL5269131

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O=C(NO)C(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5269131
Phase Preclinical
Structure Type MOL
InChI Key OCFQCWKQTHPOBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
5.15
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15F4NO2
MW 389.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 4
CHEMBL3524
 IC50 7.27 7.27 54.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 4 IC50 = 54.0 nM 7.27 Inhibition of HDAC4 (unknown origin) 36490325

Literature References

PubMed DOI Target Context # Activities
36490325 10.1021/acs.jmedchem.2c00799 Histone deacetylase 4 1

Data from ChEMBL 36 via Core Engine