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Compound Detail

CHEMBL5561111

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CC(=O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1

Basic Information

ChEMBL ID CHEMBL5561111
Phase Preclinical
Structure Type MOL
InChI Key IDKULFCSGKWMQX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
2.42
ALogP
9
HBA
1
HBD
128.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N6O4
MW 378.35
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.42

Activity Summary

EC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 0.7 nM 9.15 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