Compound Detail
CHEMBL5402048
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CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1
Basic Information
| ChEMBL ID | CHEMBL5402048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEGMIRDEVYCIQA-ZVAWYAOSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.5
MW (Da)
4.34
ALogP
8
HBA
1
HBD
102.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.55 | 7.55 | 28.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 28.2 | nM | 7.55 | Inhibition of JNK3 (unknown origin) using ATF2 as substrate incubated for 40 min... | 36395646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36395646 | 10.1016/j.ejmech.2022.114917 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine