Compound Detail
CHEMBL5276203
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COc1ccc([C@H]2CCN(Cc3ccccn3)C(=O)[C@@H]2NC(=O)Nc2ccc(F)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5276203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEWGZKROTZDNFF-DHIUTWEWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
3.94
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human FPR1 expressed in CHO cells assessed as increase in ca... | 33486199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33486199 | 10.1016/j.ejmech.2021.113167 | fMet-Leu-Phe receptor | 1 |
| 33486199 | 10.1016/j.ejmech.2021.113167 | N-formyl peptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine