Compound Detail
CHEMBL556625
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Basic Information
| ChEMBL ID | CHEMBL556625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQTPDPUYZDOBGZ-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
3.44
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 5.8 | 5.6667 | 1600.0 | 3 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 5.65 | 5.3925 | 2238.7 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at FPRL1 in human neutrophiles assessed as induction of intrace... | 19639995 |
| N-formyl peptide receptor 2 | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at FPRL1 in human neutrophiles by chemotaxis assay | 19639995 |
| fMet-Leu-Phe receptor | EC50 | = | 2238.72 | nM | 5.65 | Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as s... | 31038950 |
| fMet-Leu-Phe receptor | EC50 | = | 2600.0 | nM | 5.58 | Agonist activity at FPR1 expressed in human HL60 cells assessed as induction of ... | 19639995 |
| N-formyl peptide receptor 2 | EC50 | = | 4000.0 | nM | 5.4 | Agonist activity at FPRL1 expressed in human HL60 cells assessed as induction of... | 19639995 |
| fMet-Leu-Phe receptor | EC50 | = | 6700.0 | nM | 5.17 | Agonist activity at FPR1 in human neutrophiles assessed as induction of intracel... | 19639995 |
| fMet-Leu-Phe receptor | EC50 | = | 6700.0 | nM | 5.17 | Agonist activity at FPR1 in human neutrophiles by chemotaxis assay | 19639995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19639995 | 10.1021/jm900592h | fMet-Leu-Phe receptor | 4 |
| 19639995 | 10.1021/jm900592h | N-formyl peptide receptor 2 | 4 |
| 31038950 | 10.1021/acs.jmedchem.8b01912 | fMet-Leu-Phe receptor | 2 |
| 31038950 | 10.1021/acs.jmedchem.8b01912 | N-formyl peptide receptor 2 | 2 |
| 19639995 | 10.1021/jm900592h | N-formyl peptide receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine