Compound Detail
CHEMBL5194850
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COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2noc(-c3ccc(Cl)cc3)n2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5194850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDQXYNRFYAKLFH-LRDDRELGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.8
MW (Da)
3.37
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 2500.0 | nM | 5.6 | Agonist activity at human FPR2 overexpressing CHO cells assessed as reduction in... | 35707160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35707160 | 10.1021/acsmedchemlett.2c00079 | N-formyl peptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine