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Compound Detail

CHEMBL2170169

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CCCCCCCC(=O)Nc1ccc(OCc2cc(C)cc(C)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170169
Phase Preclinical
Structure Type MOL
InChI Key JWQBUGUIWZYRQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
6.18
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31NO2
MW 353.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
23010266 10.1016/j.bmcl.2012.08.104 Histone deacetylase 8 1

Data from ChEMBL 36 via Core Engine