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Compound Detail

CHEMBL325736

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CNC(=O)C(=O)COCCCCOc1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325736
Phase Preclinical
Structure Type MOL
InChI Key NCIIPICHSOLLIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.84
ALogP
4
HBA
1
HBD
64.6
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 C20H23NO4
MW 341.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
12951120 10.1016/s0960-894x(03)00685-1 Histone deacetylase (HDAC1 and HDAC2) 1

Data from ChEMBL 36 via Core Engine