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Compound Detail

CHEMBL170796

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

Basic Information

ChEMBL ID CHEMBL170796
Phase Preclinical
Structure Type MOL
InChI Key KFTXIXHHLGLFAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.3
MW (Da)
4.94
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.71
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 C19H20Cl2O4
MW 383.27
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.93

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