Compound Detail
CHEMBL4303171
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Basic Information
| ChEMBL ID | CHEMBL4303171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSZPIAXLCCQFCM-FCQUAONHSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
3.78
ALogP
4
HBA
3
HBD
87.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948 | IC50 | 8.37 | 8.37 | 4.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 6.09 | 6.09 | 810.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 5 | IC50 | = | 4.3 | nM | 8.37 | Inhibition of MEK5 (unknown origin) | 32389527 |
| Unchecked | IC50 | = | 4.3 | nM | 8.37 | Inhibition of MEK5 (unknown origin) | 37002872 |
| Dual specificity mitogen-activated protein kinase kinase 5 | IC50 | = | 4.3 | nM | 8.37 | Inhibition of GST-tagged MEK5 (unknown origin) expressed in baculovirus expressi... | 24239623 |
| Mitogen-activated protein kinase 7 | IC50 | = | 810.0 | nM | 6.09 | Inhibition of ERK5 (unknown origin) | 37002872 |
| Mitogen-activated protein kinase 7 | IC50 | = | 810.0 | nM | 6.09 | Inhibition of GST-tagged ERK5 (unknown origin) expressed in baculovirus expressi... | 24239623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Unchecked | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Dual specificity mitogen-activated protein kinase kinase 5 | 1 |
| 37002872 | 10.1021/acs.jmedchem.3c00072 | Mitogen-activated protein kinase 7 | 1 |
| 37002872 | 10.1021/acs.jmedchem.3c00072 | Unchecked | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| 24239623 | 10.1016/j.ejmech.2013.10.052 | Mitogen-activated protein kinase 7 | 1 |
| 24239623 | 10.1016/j.ejmech.2013.10.052 | Dual specificity mitogen-activated protein kinase kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine