Compound Detail
CHEMBL3671841
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Basic Information
| ChEMBL ID | CHEMBL3671841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICLSGXPHOMUHDE-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
2.95
ALogP
5
HBA
2
HBD
96.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Ki 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| N-formyl peptide receptor 2 CHEMBL4227 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| N-formyl peptide receptor 2 CHEMBL4227 | Ki | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 38.0 | nM | 7.42 | Calcium Mobilization Assay: The cDNA for rat metabotropic glutamate receptor 5 (... | - |
| N-formyl peptide receptor 2 | IC50 | = | 38.0 | nM | 7.42 | Radioligand Binding Assay: Binding assays were performed as described in [J. A. ... | - |
| Metabotropic glutamate receptor 5 | Ki | = | 370.0 | nM | 6.43 | Radioligand Binding Assay: Binding assays were performed as described in [J. A. ... | - |
| N-formyl peptide receptor 2 | Ki | = | 370.0 | nM | 6.43 | Radioligand Binding Assay: Binding assays were performed as described in [J. A. ... | - |
Data from ChEMBL 36 via Core Engine