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Compound Detail

CHEMBL89611

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NC(=O)CCc1c(O)ccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89611
Phase Preclinical
Structure Type MOL
InChI Key ARFRNBQNIMKECT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

215.2
MW (Da)
1.96
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO2
MW 215.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.06

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15115404 10.1021/jm030473r NAD-dependent histone deacetylase SIR2 4

Data from ChEMBL 36 via Core Engine