Compound Detail
CHEMBL7122
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CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL7122 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YJFBNJDVXGRJHI-DWCHZDDLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
771.0
MW (Da)
3.91
ALogP
6
HBA
7
HBD
194.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL3359 | IC50 | 6.7 | 6.5 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | IC50 | = | 200.0 | nM | 6.7 | Binding affinity towards fMLF receptor using human neutrophils | 8676333 |
| fMet-Leu-Phe receptor | IC50 | = | 500.0 | nM | 6.3 | Antagonistic activity was determined by measuring the ability to inhibit superox... | 8676333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676333 | 10.1021/jm950908d | fMet-Leu-Phe receptor | 3 |
Data from ChEMBL 36 via Core Engine