Compound Detail
CHEMBL4741330
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Basic Information
| ChEMBL ID | CHEMBL4741330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHYPJGLBCYEAEJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.9
MW (Da)
4.21
ALogP
4
HBA
2
HBD
57.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.21
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| JJN-3 CHEMBL4296444 | EC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of NIK (unknown origin) | 33199201 |
| JJN-3 | EC50 | = | 61.0 | nM | 7.21 | Antiproliferative activity against human JJN-3 cells transfected with plasmid ex... | 33199201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33199201 | 10.1016/j.bmc.2020.115856 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
| 33199201 | 10.1016/j.bmc.2020.115856 | JJN-3 | 1 |
Data from ChEMBL 36 via Core Engine