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Compound Detail

CHEMBL138090

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COC(=O)N(O)CCCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138090
Phase Preclinical
Structure Type MOL
InChI Key WDOXVLBJRUDHQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.03
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N2O4
MW 294.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
14698179 10.1016/j.bmcl.2003.10.055 Histone deacetylase 1 1
14698179 10.1016/j.bmcl.2003.10.055 Histone deacetylase 2 1
14698179 10.1016/j.bmcl.2003.10.055 Histone deacetylase 6 1
14698179 10.1016/j.bmcl.2003.10.055 Histone deacetylase 8 1
14698179 10.1016/j.bmcl.2003.10.055 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine