Compound Detail
CHEMBL4454594
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Basic Information
| ChEMBL ID | CHEMBL4454594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAYQJMZLTQEUPE-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
5.17
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 7.29 | 7.22 | 51.3 | 2 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 7.08 | 6.6075 | 83.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 51.29 | nM | 7.29 | Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as i... | 31038950 |
| N-formyl peptide receptor 2 | EC50 | = | 70.79 | nM | 7.15 | Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as s... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 83.18 | nM | 7.08 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as s... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 83.0 | nM | 7.08 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as s... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 603.0 | nM | 6.22 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as i... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 891.25 | nM | 6.05 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as i... | 31038950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31038950 | 10.1021/acs.jmedchem.8b01912 | fMet-Leu-Phe receptor | 5 |
| 31038950 | 10.1021/acs.jmedchem.8b01912 | No relevant target | 3 |
| 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