Compound Detail
CHEMBL5563899
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Cc1ccc(C2(NC(=O)[C@@H]3C4CCC([C@H]3C(=O)NCCCCN3CCCC3)C43CC3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5563899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCMHEWPJQVNAHI-MQSUGXTHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.7
MW (Da)
4.14
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at FPR2 (unknown origin) in HEK293 cells | 38199163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38199163 | 10.1016/j.ejmech.2023.115989 | N-formyl peptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine