Compound Detail
CHEMBL4536334
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Basic Information
| ChEMBL ID | CHEMBL4536334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZVPHRYZBNRAIA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
484.0
MW (Da)
5.18
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 7.28 | 7.245 | 52.5 | 2 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 7.26 | 7.145 | 55.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 52.48 | nM | 7.28 | Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as i... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 54.95 | nM | 7.26 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as i... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 55.0 | nM | 7.26 | Agonist activity at FPR1 (unknown origin) transfected in CHO cells assessed as i... | 38199163 |
| N-formyl peptide receptor 2 | EC50 | = | 61.66 | nM | 7.21 | Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as s... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 93.33 | nM | 7.03 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as s... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 93.0 | nM | 7.03 | Agonist activity at FPR1 (unknown origin) in CHO cells assessed as activation of... | 38199163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31038950 | 10.1021/acs.jmedchem.8b01912 | fMet-Leu-Phe receptor | 2 |
| 31038950 | 10.1021/acs.jmedchem.8b01912 | N-formyl peptide receptor 2 | 2 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | fMet-Leu-Phe receptor | 2 |
Data from ChEMBL 36 via Core Engine