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Compound Detail

CHEMBL463731

JUSTIFLORINOL
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O=C(CC(CO)C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463731
Name JUSTIFLORINOL
Phase Preclinical
Structure Type MOL
InChI Key YNDXXIPMXGSUGT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
2.21
ALogP
7
HBA
1
HBD
91.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16O7
MW 356.33
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.36

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15921419 10.1021/np050028u KB 1
20954722 10.1021/np1005357 Leishmania amazonensis 1
20954722 10.1021/np1005357 ADMET 1
20954722 10.1021/np1005357 Vero 1
20954722 10.1021/np1005357 MCF7 1

Data from ChEMBL 36 via Core Engine