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Compound Detail

CHEMBL1767090

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

Basic Information

ChEMBL ID CHEMBL1767090
Phase Preclinical
Structure Type MOL
InChI Key CGUSGHJDNCSDGH-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
3.64
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O4
MW 282.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.42

Activity Summary

IC50 5 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.6 5.6 2490.0 1
Eyes absent homolog 3
CHEMBL4296245
IC50 4.14 4.14 73100.0 4

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