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Compound Detail

CHEMBL4785302

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

Basic Information

ChEMBL ID CHEMBL4785302
Phase Preclinical
Structure Type MOL
InChI Key LASJSIMHDHTROE-LBPRGKRZSA-N
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.2
MW (Da)
2.19
ALogP
3
HBA
4
HBD
107.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20BrN3O4
MW 386.25
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.91

Activity Summary

EC50 7 meas. best 9.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 9.06 7.3983 0.9 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 0.88 nM 9.06 Agonist activity at FPR2 (unknown origin) by calcium mobilization assay 33548634
N-formyl peptide receptor 2 EC50 = 0.88 nM 9.06 Agonist activity at human FPR2 expressed in CHO cells assessed as increase in ca... 38199163
N-formyl peptide receptor 2 EC50 = 11.6 nM 7.94 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 780.0 nM 6.11 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 780.0 nM 6.11 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 780.0 nM 6.11 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -

Literature References

PubMed DOI Target Context # Activities
33486199 10.1016/j.ejmech.2021.113167 N-formyl peptide receptor 2 2
33548634 10.1016/j.ejmech.2021.113194 N-formyl peptide receptor 2 1
33548634 10.1016/j.ejmech.2021.113194 Neutrophil 1
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine