Compound Detail
CHEMBL241262
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COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#CC(O)c3ccc(OCCCN(C)C)cc3)c21
Basic Information
| ChEMBL ID | CHEMBL241262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXWYYUPZZCUBKY-PYCFMQQDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
3.93
ALogP
5
HBA
3
HBD
86.8
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of JNK1 | 17055723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17055723 | 10.1016/j.bmcl.2006.10.013 | Rattus norvegicus | 3 |
| 17055723 | 10.1016/j.bmcl.2006.10.013 | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine