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Compound Detail

CHEMBL5575425

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COc1cccc(Nc2cccc(Cl)c2-c2ccccc2)c1C(=O)O

Basic Information

ChEMBL ID CHEMBL5575425
Phase Preclinical
Structure Type MOL
InChI Key YEKGJZULZAVVIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

353.8
MW (Da)
5.46
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClNO3
MW 353.81
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.46

Activity Summary

Ki 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty acid-binding protein, adipocyte
CHEMBL2083
Ki 5.95 5.95 1129.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38043490 10.1016/j.ejmech.2023.115984 Fatty acid-binding protein, adipocyte 1
38043490 10.1016/j.ejmech.2023.115984 Fatty acid-binding protein, heart 1
38043490 10.1016/j.ejmech.2023.115984 Unchecked 1

Data from ChEMBL 36 via Core Engine