Compound Detail
CHEMBL302728
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Basic Information
| ChEMBL ID | CHEMBL302728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOUYNVPPUCUZSS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.78
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 57.0 | nM | 7.24 | Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase) | 10377223 |
| Mitogen-activated protein kinase 9 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of c-Jun N-terminal kinase 2-alpha 1 | 10377223 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 750.0 | nM | 6.12 | Inhibitory activity against recombinant human RAF proto-oncogene serine/threonin... | 10377223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377223 | 10.1021/jm9805236 | MAP kinase p38 | 2 |
| 10377223 | 10.1021/jm9805236 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 10377223 | 10.1021/jm9805236 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine