Compound Detail
CHEMBL345834
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Basic Information
| ChEMBL ID | CHEMBL345834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODJAAXUMRRFNRJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.0
MW (Da)
8.02
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.4 | 6.85 | 40.0 | 2 |
| Glucagon receptor CHEMBL4773 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.57 | 5.57 | 2680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 40.0 | nM | 7.4 | Binding affinity determined by reduction in binding of 125 I-glucagon to the hum... | 10201821 |
| Glucagon receptor | IC50 | = | 340.0 | nM | 6.47 | Binding affinity towards glucagon receptor determined by reduction in binding of... | 10201821 |
| Glucagon receptor | IC50 | = | 500.0 | nM | 6.3 | Binding affinity towards glucagon receptor determined by reduction in binding of... | 10201821 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2680.0 | nM | 5.57 | Inhibitory activity against p38-alpha kinase | 10201821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10201821 | 10.1016/s0960-894x(99)00081-5 | Glucagon receptor | 4 |
| 10201821 | 10.1016/s0960-894x(99)00081-5 | Mitogen-activated protein kinase 14 | 1 |
| 10201821 | 10.1016/s0960-894x(99)00081-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine