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Compound Detail

CHEMBL4066509

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CC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(O)C(O)=C(C(C)=O)C2=O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066509
Phase Preclinical
Structure Type MOL
InChI Key QIIXDIMXGJECAI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
1.75
ALogP
9
HBA
5
HBD
169.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O9
MW 406.39
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 1.31

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28231520 10.1016/j.ejmech.2017.02.005 Nippostrongylus brasiliensis 1

Data from ChEMBL 36 via Core Engine