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Compound Detail

CHEMBL5561530

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O=C(Nc1ccc(Br)nc1)[C@@H]1C2CCC([C@H]1C(=O)OCCC1CCNCC1)C21CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5561530
Phase Preclinical
Structure Type MOL
InChI Key ZDRZOAYNFYJPSF-OTGCGEFBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.4
MW (Da)
3.77
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30BrN3O3
MW 476.42
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.38

Activity Summary

EC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 0.4 nM 9.4 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