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Compound Detail

CHEMBL3290222

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CCOC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)n2-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3290222
Phase Preclinical
Structure Type MOL
InChI Key LWECYQHFOBASBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
4.78
ALogP
6
HBA
0
HBD
87.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N3O4
MW 387.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.45

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