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Compound Detail

CHEMBL1289811

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O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1

Basic Information

ChEMBL ID CHEMBL1289811
Phase Preclinical
Structure Type MOL
InChI Key NDMGCXUZFQYMLE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.7
MW (Da)
3.86
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19BrClN3O
MW 408.73
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.21

Activity Summary

EC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2100.0 nM 5.68 Agonist activity at FPR2 (unknown origin) in HEK293 cells 38199163

Literature References

PubMed DOI Target Context # Activities
20870313 10.1016/j.ejmech.2010.09.001 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