Compound Detail
CHEMBL4434926
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
Basic Information
| ChEMBL ID | CHEMBL4434926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKHMETWKHWYTEE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.42
ALogP
4
HBA
3
HBD
96.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 50.0 | nM | 7.3 | Displacement of fluorescein labeled probe from full length human GST-tagged RIPK... | 32184955 |
| Receptor-interacting serine/threonine-protein kinase 3 | IC50 | = | 270.0 | nM | 6.57 | Displacement of fluorescein labeled probe from full length human GST-tagged RIPK... | 32184955 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 17000.0 | nM | 4.77 | Displacement of fluorescein labeled probe from full length human GST-tagged RIPK... | 32184955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 2 | 2 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 3 | 1 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine