Compound Detail
CHEMBL5406554
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NC(=O)N1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1
Basic Information
| ChEMBL ID | CHEMBL5406554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGICVDGDWJJCIH-OAHLLOKOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.4
MW (Da)
3.45
ALogP
7
HBA
2
HBD
122.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human JNK3 incubated for 40 mins in presence of ATP and [gamma33P-... | 36343411 |
| Mitogen-activated protein kinase 9 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of JNK2 (unknown origin) assessed as incorporation of 33P-ATP | 36343411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36343411 | 10.1016/j.ejmech.2022.114894 | Mitogen-activated protein kinase 8 | 1 |
| 36343411 | 10.1016/j.ejmech.2022.114894 | Mitogen-activated protein kinase 9 | 1 |
| 36343411 | 10.1016/j.ejmech.2022.114894 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine