Compound Detail
CHEMBL2364626
RALIMETINIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2364626 |
| Name | RALIMETINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XPPBBJCBDOEXDN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
6
Known Names
5
Indications
1
Mechanisms
Molecular Properties
420.5
MW (Da)
5.55
ALogP
5
HBA
2
HBD
85.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| MAP kinase p38 alpha inhibitor | INHIBITOR | Mitogen-activated protein kinase 14 | ✓ | ✓ |
Indications
Breast Neoplasms Fallopian Tube Neoplasms Glioblastoma Neoplasms Ovarian Neoplasms
Activity Summary
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | IC50 | 6.06 | 6.06 | 873.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Middle East respiratory syndrome-related coronavirus | IC50 | = | 873.0 | nM | 6.06 | Antiviral activity against MERS-CoV | 34081439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 34081439 | 10.1021/acs.jmedchem.1c00335 | Middle East respiratory syndrome-related coronavirus | 1 |
Data from ChEMBL 36 via Core Engine