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Compound Detail

CHEMBL1767094

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CCc1cc2cc(OC)cc(C(=O)c3ccc(O)cc3)c2o1

Basic Information

ChEMBL ID CHEMBL1767094
Phase Preclinical
Structure Type MOL
InChI Key NUSSJLGJGOSWJM-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 0.19

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 4.47 4.47 33650.0 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