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Compound Detail

CHEMBL4869708

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O=C(O)C1CNc2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4869708
Phase Preclinical
Structure Type MOL
InChI Key VNTNLTOJGXENIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

179.2
MW (Da)
0.94
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9NO3
MW 179.17
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
33876629 10.1021/acs.jmedchem.1c00017 NAD-dependent protein deacetylase sirtuin-1 1
33876629 10.1021/acs.jmedchem.1c00017 NAD-dependent protein deacetylase sirtuin-2 1
33876629 10.1021/acs.jmedchem.1c00017 NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1

Data from ChEMBL 36 via Core Engine