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Compound Detail

CHEMBL5619161

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O=C(O)/C=C/Cc1cccc2c1OC(c1ccc(O)cc1)CC2=O

Basic Information

ChEMBL ID CHEMBL5619161
Phase Preclinical
Structure Type MOL
InChI Key LLLKGZVWVXHNTL-QHHAFSJGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
3.28
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16O5
MW 324.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.43

Activity Summary

IC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.37 5.37 4240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39142150 10.1016/j.ejmech.2024.116753 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine