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Compound Detail

CHEMBL1289381

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COc1ccc(CCNC(=O)Nc2ccc(Br)cc2)cc1

Basic Information

ChEMBL ID CHEMBL1289381
Phase Preclinical
Structure Type MOL
InChI Key HSUKKJKUETYPHG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.2
MW (Da)
3.82
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17BrN2O2
MW 349.23
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.35

Activity Summary

EC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 7.0 7.0 100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20870313 10.1016/j.ejmech.2010.09.001 N-formyl peptide receptor 2 1
25882522 10.1016/j.bmc.2015.03.062 N-formyl peptide receptor 2 1
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine