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Compound Detail

CHEMBL313262

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CCN(CC)C(=O)CCc1c(O)ccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313262
Phase Preclinical
Structure Type MOL
InChI Key MCDHFXMFYMRMSU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.35
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO2
MW 271.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.59

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15115404 10.1021/jm030473r NAD-dependent histone deacetylase SIR2 3

Data from ChEMBL 36 via Core Engine