Compound Detail
CHEMBL4790836
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Basic Information
| ChEMBL ID | CHEMBL4790836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMNSHRFMQNHFJB-SJCJKPOMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.39
ALogP
4
HBA
4
HBD
99.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 10.11 | 10.11 | 0.1 | 1 |
| Formyl peptide receptor 2 CHEMBL4739842 | EC50 | 9.2 | 9.2 | 0.6 | 1 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 0.078 | nM | 10.11 | Agonist activity at human FPR2 expressed in HEK 293 cells co-expressing Galpha15... | 32407089 |
| Formyl peptide receptor 2 | EC50 | = | 0.63 | nM | 9.2 | Agonist activity at mouse FPR2 expressed in HEK 293 cells co-expressing Galpha15... | 32407089 |
| fMet-Leu-Phe receptor | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human FPR1 expressed in HEK 293 cells co-expressing Galpha15... | 32407089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32407089 | 10.1021/acs.jmedchem.9b02101 | Unchecked | 2 |
| 32407089 | 10.1021/acs.jmedchem.9b02101 | N-formyl peptide receptor 2 | 1 |
| 32407089 | 10.1021/acs.jmedchem.9b02101 | fMet-Leu-Phe receptor | 1 |
| 32407089 | 10.1021/acs.jmedchem.9b02101 | Formyl peptide receptor 2 | 1 |
| 32407089 | 10.1021/acs.jmedchem.9b02101 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine