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Compound Detail

CHEMBL12626

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Cc1cc(=O)oc2ccc(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12626
Phase Preclinical
Structure Type MOL
InChI Key IRUHWRSITUYICV-UHFFFAOYSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
1.81
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H8O3
MW 176.17
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness 0.46

Activity Summary

IC50 2 meas.
Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
22925447 10.1016/j.bmc.2012.07.043 U-937 5
18060791 10.1016/j.bmc.2007.11.038 U-937 4
10411471 10.1021/jm990073x Serine/threonine-protein kinase mTOR 1
3086557 10.1021/jm00156a031 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine