Compound Detail
CHEMBL5562287
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CCOP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F
Basic Information
| ChEMBL ID | CHEMBL5562287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYNDZTDKDAYWIW-ZPZSTKJISA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
565.9
MW (Da)
5.92
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 9.18 | 9.18 | 0.7 | 3 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 8.96 | 8.96 | 1.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 0.66 | nM | 9.18 | Agonist activity at FPR2 (unknown origin) expressed in CHO cells by cAMP assay | 38199163 |
| N-formyl peptide receptor 2 | EC50 | = | 0.66 | nM | 9.18 | FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... | - |
| N-formyl peptide receptor 2 | EC50 | = | 0.66 | nM | 9.18 | Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... | - |
| fMet-Leu-Phe receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at FPR1 (unknown origin) expressed in CHO cells by cAMP assay | 38199163 |
| fMet-Leu-Phe receptor | EC50 | = | 1.1 | nM | 8.96 | FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... | - |
| fMet-Leu-Phe receptor | EC50 | = | 1.1 | nM | 8.96 | Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38199163 | 10.1016/j.ejmech.2023.115989 | Unchecked | 1 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | N-formyl peptide receptor 2 | 1 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | fMet-Leu-Phe receptor | 1 |
Data from ChEMBL 36 via Core Engine