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Compound Detail

CHEMBL168463

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CCCC12CCC(=O)C=C1c1c(cc(O)c(Cl)c1Cl)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168463
Phase Preclinical
Structure Type MOL
InChI Key CRQUFZLSJIBVII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.2
MW (Da)
4.79
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16Cl2O2
MW 311.21
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.41

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