Compound Detail
CHEMBL3785745
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Basic Information
| ChEMBL ID | CHEMBL3785745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXBWKWXLJDJUTG-KRWDZBQOSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.13
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 10.2 | 9.31 | 0.1 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| T1/2 | 0.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 0.063 | nM | 10.2 | Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected i... | 28151659 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 0.94 | nM | 9.03 | Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent base... | 26854747 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph... | 28151659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26854747 | 10.1021/acs.jmedchem.5b01898 | Receptor-interacting serine/threonine-protein kinase 1 | 3 |
| 28151659 | 10.1021/acs.jmedchem.6b01751 | Receptor-interacting serine/threonine-protein kinase 1 | 2 |
| 28151659 | 10.1021/acs.jmedchem.6b01751 | No relevant target | 1 |
| 28151659 | 10.1021/acs.jmedchem.6b01751 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine