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Compound Detail

CHEMBL4878754

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Cc1ccc(NC(=O)N2CC(C(N)=O)Oc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4878754
Phase Preclinical
Structure Type MOL
InChI Key LNKCWKZBKUCUBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
2.28
ALogP
3
HBA
2
HBD
84.7
PSA (Ų)
0.89
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 C17H17N3O3
MW 311.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.38

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