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Compound Detail

CHEMBL169809

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CCC12CCC(=O)C=C1c1c(cc(OCC(=O)OCC3COC(C)(C)O3)c(Cl)c1Cl)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL169809
Phase Preclinical
Structure Type MOL
InChI Key QMICVNIAYITING-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
4.77
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26Cl2O6
MW 469.36
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.82

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