Compound Detail
CHEMBL481949
ZAPNOMETINIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL481949 |
| Name | ZAPNOMETINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XCNBGWKQXRQKSA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
5
Known Names
4
Indications
Molecular Properties
409.6
MW (Da)
4.66
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Severe Acute Respiratory Syndrome COVID-19 Hantavirus Infections Influenza, Human
Activity Summary
IC50 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.24 | 8.24 | 5.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.73 | nM | 8.24 | Binding affinity to MEK | 19019675 |
| Unchecked | IC50 | = | 5.73 | nM | 8.24 | Inhibition of MEK (unknown origin) | 33970631 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 5.73 | nM | 8.24 | Inhibition of MEK1 (unknown origin) | 33970631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19019675 | 10.1016/j.bmcl.2008.10.108 | Unchecked | 1 |
| 33970631 | 10.1021/acs.jmedchem.1c00302 | Unchecked | 1 |
| 33970631 | 10.1021/acs.jmedchem.1c00302 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine