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Compound Detail

CHEMBL113566

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

Basic Information

ChEMBL ID CHEMBL113566
Phase Preclinical
Structure Type MOL
InChI Key WNFPRQUEDLLACK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
4.34
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.47
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 C22H27NO3
MW 353.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.47

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