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Compound Detail

CHEMBL4862058

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NC(=O)C1CN(C(=O)c2ccccc2)c2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4862058
Phase Preclinical
Structure Type MOL
InChI Key UTHZPLLTVZOHMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
1.58
ALogP
3
HBA
1
HBD
72.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O3
MW 282.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.01

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