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Compound Detail

CHEMBL89306

DIHYDROCOUMARIN
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O=C1CCc2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89306
Name DIHYDROCOUMARIN
Phase Preclinical
Structure Type MOL
InChI Key VMUXSMXIQBNMGZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

148.2
MW (Da)
1.54
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H8O2
MW 148.16
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.80

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15115404 10.1021/jm030473r NAD-dependent histone deacetylase SIR2 4
18572410 10.1016/j.bmc.2008.06.008 Serum paraoxonase/arylesterase 1 1

Data from ChEMBL 36 via Core Engine