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Compound Detail

CHEMBL3290223

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CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3290223
Phase Preclinical
Structure Type MOL
InChI Key KMTKMHVEHDCZEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.8
MW (Da)
5.52
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClN2O2
MW 376.84
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
24992072 10.1016/j.ejmech.2014.06.060 NAD-dependent protein deacetylase sirtuin-1 2
24992072 10.1016/j.ejmech.2014.06.060 NAD-dependent protein deacetylase sirtuin-2 2
24992072 10.1016/j.ejmech.2014.06.060 ADMET 1

Data from ChEMBL 36 via Core Engine