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Compound Detail

CHEMBL3692621

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CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3692621
Phase Preclinical
Structure Type MOL
InChI Key FUZUCHDVPZXYLX-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.46
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.79
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 C18H23F3N4O2
MW 384.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 4
CHEMBL3524
 IC50 7.32 7.32 48.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 4 IC50 = 48.0 nM 7.32 Inhibition Assay: Human recombinant HDAC4 was expressed in full length form (aa ... -

Data from ChEMBL 36 via Core Engine