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Compound Detail

CHEMBL5561851

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O=C(Nc1ccc(Br)cc1)[C@@H]1C2CCC([C@@H]1C(=O)O)C21CC1

Basic Information

ChEMBL ID CHEMBL5561851
Phase Preclinical
Structure Type MOL
InChI Key CVTBABUFIBCHCY-PQAZSJQKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.2
MW (Da)
3.52
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18BrNO3
MW 364.24
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.18

Activity Summary

EC50 2 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 6.55 6.55 280.0 1
fMet-Leu-Phe receptor
CHEMBL3359
EC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38199163 10.1016/j.ejmech.2023.115989 fMet-Leu-Phe receptor 1
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine