Compound Detail
CHEMBL5408918
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Basic Information
| ChEMBL ID | CHEMBL5408918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OETUTKPEMSQCPX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
3.78
ALogP
5
HBA
2
HBD
90.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.21 | 6.21 | 614.8 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.11 | 5.11 | 7703.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 614.8 | nM | 6.21 | Inhibition of JNK3 (unknown origin) using ULight-4E-BP1 peptide as substrate inc... | 36649216 |
| Mitogen-activated protein kinase 8 | IC50 | = | 7703.0 | nM | 5.11 | Inhibition of JNK1 (unknown origin) using ULight-4E-BP1 peptide as substrate inc... | 36649216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36649216 | 10.1021/acs.jmedchem.2c01410 | Mitogen-activated protein kinase 8 | 1 |
| 36649216 | 10.1021/acs.jmedchem.2c01410 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine