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Compound Detail

CHEMBL87081

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O=C1CCc2cc3ccccc3cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87081
Phase Preclinical
Structure Type MOL
InChI Key WQCXXQXGKFLMLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
2.69
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.48
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 C13H10O2
MW 198.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.69

Literature References

PubMed DOI Target Context # Activities
15115404 10.1021/jm030473r NAD-dependent histone deacetylase SIR2 4

Data from ChEMBL 36 via Core Engine