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Compound Detail

CHEMBL200544

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

Basic Information

ChEMBL ID CHEMBL200544
Phase Preclinical
Structure Type MOL
InChI Key KDKYSIKLYAPHBH-FYJGNVAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
4.47
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO3
MW 319.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.57

Literature References

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

Data from ChEMBL 36 via Core Engine