Compound Detail
CHEMBL5557151
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O=C(NCc1ccc(Br)cc1F)[C@@H]1C2CCC([C@H]1C(=O)NC1CCNCC1F)C21CC1
Basic Information
| ChEMBL ID | CHEMBL5557151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYGVFSAECAMGSO-YQWJIGRCSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.4
MW (Da)
3.07
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 12.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at FPR2 (unknown origin) in HEK293 cells | 38199163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38199163 | 10.1016/j.ejmech.2023.115989 | ADMET | 1 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | N-formyl peptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine