Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL407623

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407623
Phase Preclinical
Structure Type MOL
InChI Key NKCFFXANGOIIPB-MDWZMJQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
3.99
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20FN3O2
MW 389.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.08 5.08 8400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8400.0 nM 5.08 Inhibition of HDAC 18247554

Literature References

PubMed DOI Target Context # Activities
18247554 10.1021/jm7011408 Unchecked 1
18247554 10.1021/jm7011408 HeLa 1
18247554 10.1021/jm7011408 HL-60 1

Data from ChEMBL 36 via Core Engine