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Compound Detail

CHEMBL112539

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NNC(=O)NCCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112539
Phase Preclinical
Structure Type MOL
InChI Key IOQGDSVEOQIPEF-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
1.36
ALogP
3
HBA
4
HBD
96.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N4O2
MW 264.33
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.38

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
14643318 10.1016/j.bmcl.2003.09.048 Histone deacetylase 2
15715470 10.1021/jm049207j Histone deacetylase 2
15149697 10.1016/j.bmcl.2004.03.063 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine