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Compound Detail

CHEMBL470701

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O=C(c1ccccc1O)c1ccc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470701
Phase Preclinical
Structure Type MOL
InChI Key FLYXGBNUYGAFAC-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
2.03
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.69
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 C13H10O4
MW 230.22
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.33

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
18995931 10.1016/j.ejmech.2008.09.018 Papain 3
18995931 10.1016/j.ejmech.2008.09.018 Unchecked 2
18995931 10.1016/j.ejmech.2008.09.018 Cathepsin B 1
18995931 10.1016/j.ejmech.2008.09.018 Cathepsin G 1
19428155 10.1016/j.ejmech.2009.04.011 SF-268 1
19428155 10.1016/j.ejmech.2009.04.011 NCI-H460 1
19428155 10.1016/j.ejmech.2009.04.011 MCF7 1
19428155 10.1016/j.ejmech.2009.04.011 MDA-MB-231 1
36863494 10.1016/j.bmcl.2023.129211 Human coronavirus OC43 1
36863494 10.1016/j.bmcl.2023.129211 BHK-21 1

Data from ChEMBL 36 via Core Engine