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Compound Detail

CHEMBL1767088

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CCc1oc2ccc(OC)cc2c1C(=O)c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL1767088
Phase Preclinical
Structure Type MOL
InChI Key JRZLKGRTWHCYMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.94
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O4
MW 296.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.22

Activity Summary

IC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.61 5.61 2460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21449597 10.1021/jm1015022 Solute carrier family 22 member 12 2

Data from ChEMBL 36 via Core Engine