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Compound Detail

CHEMBL4588168

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Cn1ccc(C(CC(=O)O)c2ccc(Cl)cc2)cc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4588168
Phase Preclinical
Structure Type MOL
InChI Key AMEUMOTVCRUXGA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.7
MW (Da)
2.65
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14ClNO3
MW 291.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30973731 10.1021/acs.jmedchem.9b00279 Kelch-like ECH-associated protein 1 1

Data from ChEMBL 36 via Core Engine