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Compound Detail

CHEMBL89698

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O=C1CCc2ccc3c(O)cccc3c2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89698
Phase Preclinical
Structure Type MOL
InChI Key JKWCGGSUWUMFMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
2.40
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10O3
MW 214.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
15115404 10.1021/jm030473r NAD-dependent histone deacetylase SIR2 3

Data from ChEMBL 36 via Core Engine