Compound Detail
CHEMBL7306
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CSCC[C@H](NC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL7306 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QZWJPTFPFHOGGG-ULQDDVLXSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
1.12
ALogP
5
HBA
5
HBD
150.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.52
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL3359 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | IC50 | = | 2000.0 | nM | 5.7 | Binding affinity towards fMLF receptor using human neutrophils | 8676333 |
| fMet-Leu-Phe receptor | EC50 | = | 3000.0 | nM | 5.52 | Agonistic activity was determined by measuring the ability to induce superoxide ... | 8676333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676333 | 10.1021/jm950908d | fMet-Leu-Phe receptor | 2 |
Data from ChEMBL 36 via Core Engine