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Compound Detail

CHEMBL138381

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O=C(CBr)NCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138381
Phase Preclinical
Structure Type MOL
InChI Key OWAUWMJACAMKQF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.2
MW (Da)
2.31
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.60
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 C13H17BrN2O2
MW 313.20
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.11

Activity Summary

IC50 1 meas.

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