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Compound Detail

CHEMBL5288663

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O=C(Nc1ccc(F)cc1)N[C@@H]1c2nnnn2C[C@H]1c1cc2c(cc1F)OCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5288663
Phase Preclinical
Structure Type MOL
InChI Key DFLJUHNBNSBLLK-YOEHRIQHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.55
ALogP
6
HBA
2
HBD
94.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16F2N6O2
MW 398.37
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.45

Activity Summary

EC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2.5 nM 8.6 Agonist activity at FPR2 (unknown origin) assessed as increase in calcium flux 33486199

Literature References

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

Data from ChEMBL 36 via Core Engine