Compound Detail
CHEMBL5410283
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(-c2nc3c(Nc4cccc(S(N)(=O)=O)c4)c(Br)cnc3[nH]2)c(C)n1-c1cccc(C(=O)N2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5410283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LADDIBHPOZPBQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
650.6
MW (Da)
4.66
ALogP
8
HBA
3
HBD
148.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of human MLK3 by ATP-competitive binding assay | 38346577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38346577 | 10.1016/j.bmcl.2024.129652 | Mitogen-activated protein kinase kinase kinase 11 | 1 |
| 38346577 | 10.1016/j.bmcl.2024.129652 | Mitogen-activated protein kinase kinase kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine