Compound Detail
CHEMBL550273
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 | CHEMBL550273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYHNNPKOTNCPJU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
6.54
ALogP
2
HBA
3
HBD
69.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 6.4 | 6.17 | 400.0 | 3 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.13 | 6.13 | 749.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) a... | 24900635 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.f... | 24900635 |
| Insulin-like growth factor 1 receptor | IC50 | = | 749.0 | nM | 6.13 | Inhibition of GST-tagged human IGF1R expressed in Sf9-baculovirus system | 19394223 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 1300.0 | nM | 5.89 | Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-... | 24900635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900635 | 10.1021/ml400382p | Receptor-interacting serine/threonine-protein kinase 1 | 5 |
| 19394223 | 10.1016/j.bmcl.2008.12.110 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine