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Compound Detail

CHEMBL383787

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NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383787
Phase Preclinical
Structure Type MOL
InChI Key ACZOPDXPANCKJA-RGVLZGJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.39
ALogP
3
HBA
2
HBD
75.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O2
MW 290.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
16302818 10.1021/jm050100l NAD-dependent protein deacetylase sirtuin-2 2
16302818 10.1021/jm050100l NAD-dependent histone deacetylase SIR2 1
16302818 10.1021/jm050100l NAD-dependent protein deacetylase sirtuin-1 1

Data from ChEMBL 36 via Core Engine