Compound Detail
CHEMBL4576804
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Basic Information
| ChEMBL ID | CHEMBL4576804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXVRTOKOJOMENI-WLPVFMORSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.13
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL1770037 | Kd | 8.82 | 8.82 | 1.5 | 1 |
| N-formyl peptide receptor 2 CHEMBL4227 | Kd | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | Kd | = | 1.5 | nM | 8.82 | Binding affinity to mouse FPR1 expressed in CHO cells assessed as dissociation c... | 38199163 |
| N-formyl peptide receptor 2 | Kd | = | 1.7 | nM | 8.77 | Binding affinity to human FPR2 expressed in CHO cells assessed as dissociation c... | 38199163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30106578 | 10.1021/acs.jmedchem.8b00875 | Cannabinoid receptor 1 | 3 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | N-formyl peptide receptor 2 | 1 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | fMet-Leu-Phe receptor | 1 |
Data from ChEMBL 36 via Core Engine