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Compound Detail

CHEMBL4873507

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CN(C)C(=O)C1CN(Cc2ccccc2)c2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4873507
Phase Preclinical
Structure Type MOL
InChI Key LCWOYUUBVRYPOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
2.54
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O2
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.00

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