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Compound Detail

CHEMBL89382

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OCCCc1c(O)ccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89382
Phase Preclinical
Structure Type MOL
InChI Key OVRMMZLQYVLMSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
2.47
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.80
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 C13H14O2
MW 202.25
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.54

Literature References

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

Data from ChEMBL 36 via Core Engine