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Compound Detail

CHEMBL225007

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CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCc1ccc(CC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225007
Phase Preclinical
Structure Type MOL
InChI Key OPSTZZKQVYDHNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.49
ALogP
5
HBA
2
HBD
101.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO6
MW 413.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
15566299 10.1021/jm049933m NAD-dependent protein deacetylase sirtuin-2 1

Data from ChEMBL 36 via Core Engine