Compound Detail
CHEMBL276063
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Basic Information
| ChEMBL ID | CHEMBL276063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBOAMGVRMOKHNU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.95
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.0 | 5.945 | 100.0 | 2 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 100.0 | nM | 7.0 | Binding affinity towards human Mitogen-activated protein kinase p38 expressed as... | 11549467 |
| Glucagon receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human glucagon receptor expressed in CHO cell membranes by radioli... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 400.0 | nM | 6.4 | Inhibitory activity against interleukin-1 (IL-1) synthesis, using intact human m... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7600.0 | nM | 5.12 | Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells | - |
| Glucagon receptor | IC50 | = | 13000.0 | nM | 4.89 | Binding affinity towards human glucagon receptor in absence of Mg2+ expressed as... | 11549467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00189-Z | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 11549467 | 10.1016/s0960-894x(01)00498-x | Glucagon receptor | 1 |
| 11549467 | 10.1016/s0960-894x(01)00498-x | MAP kinase p38 | 1 |
| - | 10.1007/s00044-013-0869-9 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine