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Compound Detail

CHEMBL3770439

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O=C(O)CC(O)(CCc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770439
Phase Preclinical
Structure Type MOL
InChI Key OEGHZSQZBYBRKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
0.91
ALogP
3
HBA
3
HBD
94.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14O5
MW 238.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
26734723 10.1021/acs.jmedchem.5b01752 Na(+)/citrate cotransporter 2

Data from ChEMBL 36 via Core Engine