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Compound Detail

CHEMBL4167783

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Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cc(O)cc4[C@@H]2O)O[C@H]3c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167783
Phase Preclinical
Structure Type MOL
InChI Key LHUHHURKGTUZHU-WHHDSKRTSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
4.66
ALogP
7
HBA
6
HBD
130.6
PSA (Ų)
0.25
QED
1
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 C28H22O7
MW 470.48
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 1.61

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28837342 10.1021/acs.jnatprod.7b00197 Unchecked 2

Data from ChEMBL 36 via Core Engine