Compound Detail
CHEMBL472620
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Basic Information
| ChEMBL ID | CHEMBL472620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHSLDASSAFCCDO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.55
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 13 CHEMBL2939 | IC50 | 7.08 | 6.645 | 82.7 | 2 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | IC50 | 5.33 | 5.33 | 4630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 13 | IC50 | = | 82.72 | nM | 7.08 | Immobilized Metal Affinity Polarization (IMAP) Assay: The MAPK13 blocking activi... | - |
| Mitogen-activated protein kinase 13 | IC50 | = | 619.5 | nM | 6.21 | Immobilized Metal Affinity Polarization (IMAP) Assay: The MAPK13 blocking activi... | - |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of Raf-1 | 18947905 |
| Middle East respiratory syndrome-related coronavirus | IC50 | = | 4630.0 | nM | 5.33 | Antiviral activity against MERS-CoV | 34081439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18947905 | 10.1016/j.ejmech.2008.09.016 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 34081439 | 10.1021/acs.jmedchem.1c00335 | Middle East respiratory syndrome-related coronavirus | 1 |
Data from ChEMBL 36 via Core Engine