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Compound Detail

CHEMBL501754

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C/C=C/c1cc(OC)c(OC)c(O)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501754
Phase Preclinical
Structure Type MOL
InChI Key LNULYVLKYVWZFB-AATRIKPKSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.45
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H16O4
MW 224.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.22

Activity Summary

IC50 5 meas.

Literature References

PubMed DOI Target Context # Activities
12502308 10.1021/np020244s Leishmania infantum 2
12502308 10.1021/np020244s Leishmania donovani 2
12502308 10.1021/np020244s RAW264.7 1
12502308 10.1021/np020244s Leishmania major 1
12502308 10.1021/np020244s Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine