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Compound Detail

CHEMBL113495

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NC(=O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113495
Phase Preclinical
Structure Type MOL
InChI Key BKJJKEGIJADFCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.74
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO3
MW 325.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
12951120 10.1016/s0960-894x(03)00685-1 Histone deacetylase (HDAC1 and HDAC2) 1
18247554 10.1021/jm7011408 Histone deacetylase 1
37276138 10.1021/acs.jmedchem.3c00226 Histone deacetylase (HDAC1 and HDAC2) 1

Data from ChEMBL 36 via Core Engine