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Compound Detail

CHEMBL51973

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c1ccc([C@H]2OO[C@@H](c3ccccc3)[C@@H]3O[C@@H]32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51973
Phase Preclinical
Structure Type MOL
InChI Key LURRERAWCAPXOL-GEEKYZPCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
3.20
ALogP
3
HBA
0
HBD
31.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14O3
MW 254.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.73

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15027875 10.1021/jm0305319 Homo sapiens 1
15027875 10.1021/jm0305319 Plasmodium falciparum 1
17079152 10.1016/j.bmc.2006.10.021 Candida albicans 1

Data from ChEMBL 36 via Core Engine