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Compound Detail

CHEMBL2391150

(+)-ENTEROLACTONE
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O=C1OC[C@@H](Cc2cccc(O)c2)[C@@H]1Cc1cccc(O)c1

Basic Information

ChEMBL ID CHEMBL2391150
Name (+)-ENTEROLACTONE
Phase Preclinical
Structure Type MOL
InChI Key HVDGDHBAMCBBLR-PBHICJAKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.67
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H18O4
MW 298.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.47

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.96 4.96 10900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10900.0 nM 4.96 Inhibition of pig pancreas soluble alpha-amylase using 4-nitrophenyl-alpha-D-mal... 23583514

Literature References

PubMed DOI Target Context # Activities
23583514 10.1016/j.bmcl.2013.03.029 Unchecked 4

Data from ChEMBL 36 via Core Engine