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Compound Detail

CHEMBL1797575

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COC1CC[C@H]2CC3=C(O[C@H]2O1)c1ccccc1C(=O)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1797575
Phase Preclinical
Structure Type MOL
InChI Key XMKUGXAKXMFOJS-OJGLRQOPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.31
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16O5
MW 300.31
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.54

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21450374 10.1016/j.ejmech.2011.03.012 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine