Compound Detail
CHEMBL315311
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Basic Information
| ChEMBL ID | CHEMBL315311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRSHGZMFXJHCDY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.7
MW (Da)
6.06
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 6.89 | 6.62 | 130.0 | 3 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 130.0 | nM | 6.89 | Binding affinity towards human glucagon receptor in absence of Mg2+ expressed as... | 11549467 |
| MAP kinase p38 | IC50 | = | 140.0 | nM | 6.85 | Binding affinity towards human Mitogen-activated protein kinase p38 expressed as... | 11549467 |
| Glucagon receptor | IC50 | = | 140.28 | nM | 6.85 | Inhibition of human glucagon receptor expressed in CHO cell membranes by radioli... | - |
| Glucagon receptor | IC50 | = | 750.0 | nM | 6.12 | 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 |
| - | 10.1007/s00044-013-0869-9 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine