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Compound Detail

CHEMBL5567416

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CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCc1nnn[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5567416
Phase Preclinical
Structure Type MOL
InChI Key WNZAMPDJJNIFRR-LBPRGKRZSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.3
MW (Da)
1.81
ALogP
5
HBA
4
HBD
124.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20BrN7O2
MW 410.28
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.91

Activity Summary

EC50 4 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.64 8.64 2.3 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2.3 nM 8.64 Agonist activity at human FPR2 expressed in CHO cells assessed as increase in ca... 38199163
N-formyl peptide receptor 2 EC50 = 2.3 nM 8.64 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 2.3 nM 8.64 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -

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