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Compound Detail

CHEMBL3290212

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CCOC(=O)c1ccc2c(c1)nc(-c1ccc(C)cc1)n2CCCN1CCCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3290212
Phase Preclinical
Structure Type MOL
InChI Key YSXNVYMJKJWSKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
4.20
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O3
MW 405.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.42

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