Compound Detail
CHEMBL314238
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Basic Information
| ChEMBL ID | CHEMBL314238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYRKVDOSQUAVAB-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.8
MW (Da)
5.60
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.1 | 6.3333 | 80.2 | 3 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL4825 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 80.0 | nM | 7.1 | Binding affinity towards human Mitogen-activated protein kinase p38 expressed as... | 11549467 |
| Mitogen-activated protein kinase 14 | IC50 | = | 80.0 | nM | 7.1 | Inhibitory potency evaluated against rat p38 kinase | 9873604 |
| Glucagon receptor | IC50 | = | 80.17 | nM | 7.1 | Inhibition of human glucagon receptor expressed in CHO cell membranes by radioli... | - |
| Glucagon receptor | IC50 | = | 400.0 | nM | 6.4 | Binding affinity towards human glucagon receptor in absence of Mg2+ expressed as... | 11549467 |
| Glucagon receptor | IC50 | = | 3200.0 | nM | 5.5 | Affinity for human glucagon receptor in presence of Mg2+ | 11549467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549467 | 10.1016/s0960-894x(01)00498-x | Glucagon receptor | 2 |
| 11549467 | 10.1016/s0960-894x(01)00498-x | MAP kinase p38 | 1 |
| 9873604 | 10.1016/s0960-894x(98)00495-8 | Mitogen-activated protein kinase 14 | 1 |
| - | 10.1007/s00044-013-0869-9 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine