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Compound Detail

CHEMBL494281

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C=CCOc1cc(OC)c(C(=O)/C=C/c2ccc(O)c(OC)c2)c(OCC=C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494281
Phase Preclinical
Structure Type MOL
InChI Key HJKUSGXGJUJSHW-CSKARUKUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
4.44
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O6
MW 396.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18798609 10.1021/jm800812k Trypanosoma cruzi 1
18798609 10.1021/jm800812k Vero 1
19962891 10.1016/j.bmcl.2009.11.033 Leishmania amazonensis 1

Data from ChEMBL 36 via Core Engine