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Compound Detail

CHEMBL168331

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CCC12C=CC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168331
Phase Preclinical
Structure Type MOL
InChI Key VOZXRXOIPRASLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.2
MW (Da)
3.93
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.89
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 C17H14Cl2O4
MW 353.20
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.79

Literature References

PubMed DOI Target Context # Activities
3701792 10.1021/jm00155a038 No relevant target 2
3701792 10.1021/jm00155a038 Felis catus 1

Data from ChEMBL 36 via Core Engine