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Compound Detail

CHEMBL482243

ALLOATHYRIOL
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COc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482243
Name ALLOATHYRIOL
Phase Preclinical
Structure Type MOL
InChI Key CLZONBOPXUGYNY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

274.2
MW (Da)
2.07
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H10O6
MW 274.23
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 1.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24042007 10.1016/j.bmcl.2013.08.085 BV-2 2
15787435 10.1021/np0497595 Radical scavenging activity 1
15787435 10.1021/np0497595 SW480 1
20608716 10.1021/np1001797 Unchecked 1
35308024 10.1039/d1md00351h Salmonella typhimurium 1
35308024 10.1039/d1md00351h No relevant target 1

Data from ChEMBL 36 via Core Engine