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Compound Detail

CHEMBL5563384

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O=C(O)[C@@H]1C2CCC([C@@H]1C(=O)Nc1ccc(Br)cc1)C21CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563384
Phase Preclinical
Structure Type MOL
InChI Key CVTBABUFIBCHCY-CLRIEMFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Formyl peptide receptor 2
CHEMBL4739842
 EC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Formyl peptide receptor 2 EC50 = 280.0 nM 6.55 Agonist activity at mouse FPR2 38199163

Literature References

PubMed DOI Target Context # Activities
38199163 10.1016/j.ejmech.2023.115989 Formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine