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Compound Detail

CHEMBL344475

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NCCNC(=O)CCCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344475
Phase Preclinical
Structure Type MOL
InChI Key NSOQWMILNVAQEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
2.04
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.58
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 C16H25N3O2
MW 291.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
14643318 10.1016/j.bmcl.2003.09.048 Histone deacetylase 2

Data from ChEMBL 36 via Core Engine