Compound Detail
CHEMBL5567096
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COc1cc(F)c([C@@H]2CN(c3c(OC)ccn(C)c3=O)C(=O)[C@H]2NC(=O)NC2CCc3cc(Cl)ccc3C2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5567096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVXXDYYACUHEPV-ZGCXKRIGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
587.0
MW (Da)
3.69
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | EC50 | = | 0.5 | nM | 9.3 | Agonist activity at FPR1 (unknown origin) expressed in CHO cells by cAMP assay | 38199163 |
| N-formyl peptide receptor 2 | EC50 | = | 0.6 | nM | 9.22 | Agonist activity at FPR2 (unknown origin) expressed in CHO cells by cAMP assay | 38199163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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