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Compound Detail

CHEMBL4765025

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COc1ccc(CC(NC(=O)Nc2ccc(Cl)cc2)C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL4765025
Phase Preclinical
Structure Type MOL
InChI Key PCGBEQASVBWRHL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.8
MW (Da)
3.17
ALogP
3
HBA
3
HBD
87.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN2O4
MW 348.79
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.00

Activity Summary

EC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32407089 10.1021/acs.jmedchem.9b02101 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine