Compound Detail
CHEMBL5190624
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N#CCc1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccnc(N[C@@H]3CCN(C(=O)C4CC4)C3)n2)n1
Basic Information
| ChEMBL ID | CHEMBL5190624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHKVJMUPCKDKOP-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
4.12
ALogP
7
HBA
1
HBD
99.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.64 | 6.42 | 227.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 227.0 | nM | 6.64 | Inhibition of JNK3 (unknown origin) | 35200035 |
| Mitogen-activated protein kinase 10 | IC50 | = | 636.0 | nM | 6.2 | Inhibition of JNK3 (unknown origin) | 37722288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35200035 | 10.1021/acs.jmedchem.1c01947 | Mitogen-activated protein kinase 10 | 1 |
| 37722288 | 10.1016/j.ejmech.2023.115817 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine