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Compound Detail

CHEMBL5271637

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COc1cc(F)c([C@@H]2CN3CCON=C3[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1

Basic Information

ChEMBL ID CHEMBL5271637
Phase Preclinical
Structure Type MOL
InChI Key NZOSRLDMRAAASX-KSSFIOAISA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
3.05
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F3N4O3
MW 420.39
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.00

Activity Summary

EC50 2 meas. best 10.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 10.7 10.7 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33486199 10.1016/j.ejmech.2021.113167 N-formyl peptide receptor 2 1
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine