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Compound Detail

CHEMBL3692661

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CCN(CC)C[C@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3692661
Phase Preclinical
Structure Type MOL
InChI Key VAWWFWWPRMCDFX-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.35
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20F4N4O2
MW 388.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 4
CHEMBL3524
 IC50 7.36 7.36 44.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 4 IC50 = 44.0 nM 7.36 Inhibition Assay: Human recombinant HDAC4 was expressed in full length form (aa ... -

Data from ChEMBL 36 via Core Engine