Compound Detail
CHEMBL266089
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C=C(C)NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL266089 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FPHFLMXFODESCN-UFYCRDLUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
2.28
ALogP
5
HBA
5
HBD
136.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.4
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL3359 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | IC50 | = | 300.0 | nM | 6.52 | Binding affinity towards fMLF receptor using human neutrophils | 8676333 |
| Unchecked | EC50 | = | 400.0 | nM | 6.4 | Agonistic activity was determined by measuring the compound's ability to induce ... | 8676333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676333 | 10.1021/jm950908d | fMet-Leu-Phe receptor | 1 |
| 8676333 | 10.1021/jm950908d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine