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Compound Detail

CHEMBL89891

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O=C(COc1cccc2ccccc12)ON1C(=O)CCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89891
Phase Preclinical
Structure Type MOL
InChI Key UWJCDQDIRAFBIW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
1.83
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13NO5
MW 299.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
15115404 10.1021/jm030473r NAD-dependent histone deacetylase SIR2 2

Data from ChEMBL 36 via Core Engine