Compound Detail
CHEMBL7226
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CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL7226 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MCERWXAJGGYGRM-HJOGWXRNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
2.95
ALogP
5
HBA
5
HBD
136.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL3359 | IC50 | 6.22 | 6.16 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | IC50 | = | 600.0 | nM | 6.22 | Antagonistic activity was determined by measuring the ability to inhibit superox... | 8676333 |
| fMet-Leu-Phe receptor | IC50 | = | 800.0 | nM | 6.1 | Binding affinity towards fMLF receptor using human neutrophils | 8676333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676333 | 10.1021/jm950908d | fMet-Leu-Phe receptor | 2 |
Data from ChEMBL 36 via Core Engine