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Compound Detail

CHEMBL353252

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

Basic Information

ChEMBL ID CHEMBL353252
Phase Preclinical
Structure Type MOL
InChI Key HZOFTZQCXFQZIA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.3
MW (Da)
4.87
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24Cl2O6
MW 455.33
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.67

Activity Summary

IC50 1 meas.

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