Compound Detail
CHEMBL5646811
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Cc1ccc(S(=O)(=O)NCCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(O)c3)ccn2)cc1
Basic Information
| ChEMBL ID | CHEMBL5646811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMROGCKSGZBBEA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
519.7
MW (Da)
5.16
ALogP
7
HBA
3
HBD
109.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.82 | 7.82 | 15.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 15.1 | nM | 7.82 | Inhibition of human JNK1 in presence of ATP | 37776574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37776574 | 10.1016/j.ejmech.2023.115779 | Mitogen-activated protein kinase 8 | 2 |
| 37776574 | 10.1016/j.ejmech.2023.115779 | Mitogen-activated protein kinase 9 | 1 |
| 37776574 | 10.1016/j.ejmech.2023.115779 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine