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Compound Detail

CHEMBL178726

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O=C(CO)NCCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL178726
Phase Preclinical
Structure Type MOL
InChI Key SWMGDRGXLVTPIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
1.29
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.62
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 C14H20N2O3
MW 264.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
15715470 10.1021/jm049207j Histone deacetylase 2
15603949 10.1016/j.bmcl.2004.10.074 Histone deacetylase 2
18247554 10.1021/jm7011408 Histone deacetylase 1
18247554 10.1021/jm7011408 Histone deacetylase 8 1
37276138 10.1021/acs.jmedchem.3c00226 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine