Compound Detail
CHEMBL87858
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Basic Information
| ChEMBL ID | CHEMBL87858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZLCRRAGBNSUBK-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
5.06
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 6.92 | 6.92 | 120.2 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.85 | 6.06 | 140.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 120.23 | nM | 6.92 | Inhibition of human glucagon receptor expressed in CHO cell membranes by radioli... | - |
| MAP kinase p38 | IC50 | = | 130.0 | nM | 6.89 | Binding affinity towards human Mitogen-activated protein kinase p38 expressed as... | 11549467 |
| ADMET | IC50 | = | 140.0 | nM | 6.85 | Inhibition of the release of interleukin-1-beta from peripheral blood mononuclea... | 12361396 |
| Mitogen-activated protein kinase 14 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) | 12361396 |
| ADMET | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of the release of tumor necrosis factor alpha from peripheral blood m... | 12361396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361396 | 10.1021/jm020873z | ADMET | 2 |
| 12361396 | 10.1021/jm020873z | Mitogen-activated protein kinase 14 | 1 |
| 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