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Compound Detail

CHEMBL5563146

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CC(=O)CCCCc1nc(NC(=O)OCc2ccccc2C)co1

Basic Information

ChEMBL ID CHEMBL5563146
Phase Preclinical
Structure Type MOL
InChI Key VIBFRDIOTNENJD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.03
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O4
MW 330.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.55

Activity Summary

EC50 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 0.3 nM 9.52 Agonist activity at FPR2 (unknown origin) in HEK293 cells 38199163

Literature References

PubMed DOI Target Context # Activities
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine