Compound Detail
CHEMBL5560735
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CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O)[C@@H](C)CC)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5560735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNDDPHBNDGKNKB-OVELHQAISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
663.9
MW (Da)
2.26
ALogP
7
HBA
6
HBD
182.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL1770037 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 8.42 | 8.42 | 3.8 | 1 |
| Formyl peptide receptor 2 CHEMBL4739842 | EC50 | 6.04 | 6.04 | 910.0 | 1 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | EC50 | = | 0.03 | nM | 10.52 | Agonist activity at mouse FPR1 | 38199163 |
| N-formyl peptide receptor 2 | EC50 | = | 3.8 | nM | 8.42 | Agonist activity at human FPR2 | 38199163 |
| Formyl peptide receptor 2 | EC50 | = | 910.0 | nM | 6.04 | Agonist activity at mouse FPR2 | 38199163 |
| fMet-Leu-Phe receptor | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at human FPR1 | 38199163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38199163 | 10.1016/j.ejmech.2023.115989 | fMet-Leu-Phe receptor | 2 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | N-formyl peptide receptor 2 | 1 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | Formyl peptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine