Compound Detail
CHEMBL4572309
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 | CHEMBL4572309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFXAMCQJMNCCHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
4.56
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 18.0 | nM | 7.75 | Displacement of fluorescein labeled ATP probe from His/GST-tagged c-Met (unknown... | 32184955 |
| Receptor-interacting serine/threonine-protein kinase 3 | IC50 | = | 400.0 | nM | 6.4 | Displacement of fluorescein labeled ATP probe from full length His/GST-tagged RI... | 32184955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 3 | 1 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine