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Compound Detail

CHEMBL487203

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COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487203
Phase Preclinical
Structure Type MOL
InChI Key KLAGYIBJNXLDTL-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.2
MW (Da)
1.92
ALogP
8
HBA
2
HBD
119.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H10O8
MW 330.25
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 1.05

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15620261 10.1021/np0498051 Plasma 3
15620261 10.1021/np0498051 Brain 3
29631958 10.1016/j.bmcl.2018.03.079 Erythrocyte 2
31227364 10.1016/j.bmc.2019.06.020 Polypeptide N-acetylgalactosaminyltransferase 2 1

Data from ChEMBL 36 via Core Engine