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Compound Detail

CHEMBL514060

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O=C1/C(=C/c2ccc3c(c2)OCO3)CC/C1=C\c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514060
Phase Preclinical
Structure Type MOL
InChI Key LNKNETAYXQLOBY-BGPOSVGRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.97
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.77
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 C21H16O5
MW 348.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.04

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30108820 10.1039/C6MD00649C Candida albicans 3
30108820 10.1039/C6MD00649C Candida tropicalis 3
30108820 10.1039/C6MD00649C Pichia kudriavzevii 3
19243951 10.1016/j.bmc.2008.10.044 KB 1
19243951 10.1016/j.bmc.2008.10.044 No relevant target 1

Data from ChEMBL 36 via Core Engine