Compound Detail
CHEMBL4780101
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Basic Information
| ChEMBL ID | CHEMBL4780101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WARPLCQHAJUBCN-ZROIWOOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
2.40
ALogP
4
HBA
3
HBD
84.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 1750.0 | nM | 5.76 | Inhibition of human JNK3 after 40 mins by [gamma-33ATP] radiometric assay relati... | 32603981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32603981 | 10.1016/j.ejmech.2020.112445 | Mitogen-activated protein kinase 8 | 3 |
| 32603981 | 10.1016/j.ejmech.2020.112445 | Mitogen-activated protein kinase 9 | 3 |
| 32603981 | 10.1016/j.ejmech.2020.112445 | Mitogen-activated protein kinase 10 | 2 |
| 32603981 | 10.1016/j.ejmech.2020.112445 | Discoidin domain-containing receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine