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Compound Detail

CHEMBL225253

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CCC(O)(C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225253
Phase Preclinical
Structure Type MOL
InChI Key QYCBZFRDGXIZIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
1.37
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.74
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 C10H12O3
MW 180.20
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
15588087 10.1021/jm040077o Unchecked 1

Data from ChEMBL 36 via Core Engine