Compound Detail
CHEMBL208884
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Basic Information
| ChEMBL ID | CHEMBL208884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTRDJXJTKDEONB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.3
MW (Da)
3.73
ALogP
4
HBA
2
HBD
68.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| PMNL CHEMBL613706 | IC50 | 5.7 | 5.7 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 30.0 | nM | 7.52 | Activity at human FPRL1-mediated calcium mobilization in CHO cells | 16697190 |
| PMNL | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of IL8-induced PMN migration | 16697190 |
| PMNL | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of fMLP-induced PMN migration | 16697190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16697190 | 10.1016/j.bmcl.2006.04.068 | Mus musculus | 3 |
| 16697190 | 10.1016/j.bmcl.2006.04.068 | PMNL | 2 |
| 16697190 | 10.1016/j.bmcl.2006.04.068 | N-formyl peptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine