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Compound Detail

CHEMBL272657

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O=C(/C=C/c1ccc2c(c1)CN(Cc1ccccc1)C2=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272657
Phase Preclinical
Structure Type MOL
InChI Key YUVKTEHMLHTXMT-VQHVLOKHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
2.36
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O3
MW 308.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.21

Activity Summary

IC50 1 meas. best 6.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.98 6.98 105.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 105.0 nM 6.98 Inhibition of HDAC 18247554

Literature References

PubMed DOI Target Context # Activities
18247554 10.1021/jm7011408 Unchecked 1

Data from ChEMBL 36 via Core Engine