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Compound Detail

CHEMBL137519

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

Basic Information

ChEMBL ID CHEMBL137519
Phase Preclinical
Structure Type MOL
InChI Key NMTZCUZKQIVIGB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
3.48
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.50
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 C16H23BrN2O2
MW 355.28
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.90

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