Compound Detail
CHEMBL158989
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL158989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVWTWHYQHRAFNN-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
5.42
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.3 | 6.4867 | 50.0 | 3 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Glucagon receptor CHEMBL4773 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 50.0 | nM | 7.3 | Inhibitory activity against p38-alpha kinase | 10201821 |
| Glucagon receptor | IC50 | = | 50.0 | nM | 7.3 | Antagonist activity at human glucagon receptor | - |
| Glucagon receptor | IC50 | = | 140.0 | nM | 6.85 | Binding affinity determined by reduction in binding of 125 I-glucagon to the hum... | 10201821 |
| Glucagon receptor | IC50 | = | 230.0 | nM | 6.64 | Binding affinity towards glucagon receptor determined by reduction in binding of... | 10201821 |
| Glucagon receptor | IC50 | = | 4900.0 | nM | 5.31 | Binding affinity towards glucagon receptor determined by reduction in binding of... | 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 |
| - | 10.1007/s00044-013-0801-3 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine