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Compound Detail

CHEMBL464546

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COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2C(C)=O)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464546
Phase Preclinical
Structure Type MOL
InChI Key ZXTMVCPKQIWMPH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
2.80
ALogP
8
HBA
3
HBD
126.4
PSA (Ų)
0.60
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 C19H16O8
MW 372.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 1.27

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14510616 10.1021/np030020p RBL-2H3 1
14510616 10.1021/np030020p ADMET 1

Data from ChEMBL 36 via Core Engine