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Compound Detail

CHEMBL3109435

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CC(C)C(=O)Oc1cc(C=O)c(O)cc1[C@@]1(COC(=O)c2ccccc2)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3109435
Phase Preclinical
Structure Type MOL
InChI Key VNSSTZGKCIJVDZ-OAQYLSRUSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.85
ALogP
7
HBA
1
HBD
102.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O7
MW 384.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.11

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
24502360 10.1021/np400964w Rattus norvegicus 1
24502360 10.1021/np400964w Giardia intestinalis 1
24502360 10.1021/np400964w Entamoeba histolytica 1

Data from ChEMBL 36 via Core Engine