Compound Detail
CHEMBL4588649
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Basic Information
| ChEMBL ID | CHEMBL4588649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQMCPEBDJPMQGI-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
4.00
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 6.0 | 5.2925 | 1000.0 | 4 |
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 5.8 | 5.41 | 1584.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human recombinant FPR1 stably transfected in Flp-In-CHO cell... | 33486199 |
| N-formyl peptide receptor 2 | EC50 | = | 1584.89 | nM | 5.8 | Agonist activity at human recombinant FPR2 stably transfected in Flp-In-CHO cell... | 33486199 |
| fMet-Leu-Phe receptor | EC50 | = | 3388.44 | nM | 5.47 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as s... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 7943.28 | nM | 5.1 | Agonist activity at human recombinant FPR1 stably transfected in Flp-In-CHO cell... | 33486199 |
| N-formyl peptide receptor 2 | EC50 | = | 9549.93 | nM | 5.02 | Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as s... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 25118.86 | nM | 4.6 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as i... | 31038950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33486199 | 10.1016/j.ejmech.2021.113167 | fMet-Leu-Phe receptor | 4 |
| 33486199 | 10.1016/j.ejmech.2021.113167 | N-formyl peptide receptor 2 | 4 |
| 31038950 | 10.1021/acs.jmedchem.8b01912 | No relevant target | 3 |
| 31038950 | 10.1021/acs.jmedchem.8b01912 | fMet-Leu-Phe receptor | 2 |
| 31038950 | 10.1021/acs.jmedchem.8b01912 | N-formyl peptide receptor 2 | 2 |
| 31038950 | 10.1021/acs.jmedchem.8b01912 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine