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Compound Detail

CHEMBL2170170

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COC(=O)CCCCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170170
Phase Preclinical
Structure Type MOL
InChI Key BWXPZXDYGXEPCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
4.72
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO4
MW 369.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
23010266 10.1016/j.bmcl.2012.08.104 Histone deacetylase 8 2

Data from ChEMBL 36 via Core Engine