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Compound Detail

CHEMBL154049

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CC1(Cc2ccccc2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154049
Phase Preclinical
Structure Type MOL
InChI Key GCJJNGNRQXEPOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.3
MW (Da)
5.22
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.64
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20Cl2O4
MW 407.29
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.41

Literature References

PubMed DOI Target Context # Activities
7086844 10.1021/jm00347a017 No relevant target 2
7086844 10.1021/jm00347a017 Felis catus 1

Data from ChEMBL 36 via Core Engine