Compound Detail
CHEMBL4582724
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CCCCC[C@@H](O)c1nc(-c2ccccc2)oc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC(C)C
Basic Information
| ChEMBL ID | CHEMBL4582724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZWOOSQQQLYBJF-WJQFMQRSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.81
ALogP
7
HBA
3
HBD
113.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | IC50 | 8.19 | 7.93 | 6.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | IC50 | = | 6.5 | nM | 8.19 | Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... | 30419493 |
| N-formyl peptide receptor 2 | IC50 | = | 6.8 | nM | 8.17 | Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... | 30419493 |
| N-formyl peptide receptor 2 | IC50 | = | 37.3 | nM | 7.43 | Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... | 30419493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30419493 | 10.1016/j.ejmech.2018.10.049 | N-formyl peptide receptor 2 | 28 |
| 30419493 | 10.1016/j.ejmech.2018.10.049 | Unchecked | 7 |
Data from ChEMBL 36 via Core Engine