Compound Detail
CHEMBL129726
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Basic Information
| ChEMBL ID | CHEMBL129726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXPXIUXUARYSEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.63
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 5.93 | 5.93 | 1170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 1170.0 | nM | 5.93 | In vitro inhibitory concentration against radioligand [3H]SB-202190 binding to C... | 8831759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831759 | 10.1021/jm960415o | MAP kinase p38 | 1 |
| 8831759 | 10.1021/jm960415o | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine