Compound Detail
CHEMBL351772
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Basic Information
| ChEMBL ID | CHEMBL351772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHBOWXZOLYQFNY-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
467.8
MW (Da)
7.62
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 8.15 | 6.92 | 7.0 | 3 |
| Glucagon receptor CHEMBL4773 | IC50 | 7.43 | 7.015 | 37.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 7.0 | nM | 8.15 | Binding affinity determined by reduction in binding of 125 I-glucagon to the hum... | 10201821 |
| Glucagon receptor | IC50 | = | 37.0 | nM | 7.43 | Binding affinity towards glucagon receptor determined by reduction in binding of... | 10201821 |
| Glucagon receptor | IC50 | = | 170.0 | nM | 6.77 | Binding affinity towards glucagon receptor determined by reduction in binding of... | 10201821 |
| Glucagon receptor | IC50 | = | 250.0 | nM | 6.6 | Binding affinity towards glucagon receptor determined by reduction in binding of... | 10201821 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1440.0 | nM | 5.84 | Inhibitory activity against p38-alpha kinase | 10201821 |
| Glucagon receptor | IC50 | = | 1442.12 | nM | 5.84 | Antagonist activity at human glucagon receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10201821 | 10.1016/s0960-894x(99)00081-5 | Rattus norvegicus | 6 |
| 10201821 | 10.1016/s0960-894x(99)00081-5 | Mus musculus | 6 |
| 10201821 | 10.1016/s0960-894x(99)00081-5 | Glucagon receptor | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 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 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine