Compound Detail
CHEMBL249132
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Basic Information
| ChEMBL ID | CHEMBL249132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVEGWYOUJZKXIV-MRXNPFEDSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
4.18
ALogP
4
HBA
1
HBD
63.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
EC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.66 | 6.215 | 220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 34.0 | nM | 7.47 | Agonist activity at human recombinant FPRL1 expressed in CHO cells assessed as c... | 17920884 |
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | Inhibition of fMLP-induced human PMN migration after 45 mins | 17920884 |
| Unchecked | IC50 | = | 1710.0 | nM | 5.77 | Inhibition of IL8-induced human PMN migration after 45 mins | 17920884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17920884 | 10.1016/j.bmcl.2007.09.043 | Unchecked | 2 |
| 17920884 | 10.1016/j.bmcl.2007.09.043 | N-formyl peptide receptor 2 | 1 |
| 17920884 | 10.1016/j.bmcl.2007.09.043 | fMet-Leu-Phe receptor | 1 |
| 17920884 | 10.1016/j.bmcl.2007.09.043 | Blood | 1 |
| 20870313 | 10.1016/j.ejmech.2010.09.001 | N-formyl peptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine