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Compound Detail

CHEMBL170002

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

Basic Information

ChEMBL ID CHEMBL170002
Phase Preclinical
Structure Type MOL
InChI Key LHXLANDNCCWALX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.3
MW (Da)
4.63
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20Cl2O4
MW 383.27
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.65

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine