Compound Detail
CHEMBL3109211
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CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)c4)c3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3109211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVTFULWPKJRLFF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.5
MW (Da)
7.10
ALogP
4
HBA
3
HBD
104.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 8.0 | 7.5 | 10.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 10.0 | nM | 8.0 | 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 | = | 50.0 | nM | 7.3 | Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.f... | 24900635 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 63.0 | nM | 7.2 | 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 |
Data from ChEMBL 36 via Core Engine