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Compound Detail

CHEMBL5872475

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CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5872475
Phase Preclinical
Structure Type MOL
InChI Key UDWAUBGZIALBQL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
2.62
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14FN3O2
MW 287.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 1
CHEMBL325
 IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 1 IC50 = 90.0 nM 7.05 Inhibition of Histone Deacetylase Enzymatic Activity: The following non-trypsin ... -

Data from ChEMBL 36 via Core Engine