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Compound Detail

CHEMBL1767092

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CCc1cc2c(C(=O)c3ccc(OC)cc3)c(O)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767092
Phase Preclinical
Structure Type MOL
InChI Key QKMFYLRHNNZHLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
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 0.11

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