Compound Detail
CHEMBL318991
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Basic Information
| ChEMBL ID | CHEMBL318991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCUQHXZKXUPMGH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.78
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 5.68 | 5.6 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 2100.0 | nM | 5.68 | Compound was tested for inhibition of p38 MAP kinase | 9873686 |
| MAP kinase p38 | IC50 | = | 3050.0 | nM | 5.52 | 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 |
| 9873686 | 10.1016/s0960-894x(98)00549-6 | MAP kinase p38 | 1 |
| 9873686 | 10.1016/s0960-894x(98)00549-6 | Cytochrome P450 2D6 | 1 |
| 9873686 | 10.1016/s0960-894x(98)00549-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine