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Compound Detail

CHEMBL4797598

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COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2F)c(F)c1

Basic Information

ChEMBL ID CHEMBL4797598
Phase Preclinical
Structure Type MOL
InChI Key FLLOPKPHJHQLHF-QFYYESIMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.3
MW (Da)
2.52
ALogP
3
HBA
3
HBD
79.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F3N3O3
MW 379.34
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.82

Activity Summary

EC50 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 7.37 7.37 43.0 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
32407089 10.1021/acs.jmedchem.9b02101 fMet-Leu-Phe receptor 1

Data from ChEMBL 36 via Core Engine