Compound Detail
CHEMBL395358
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Basic Information
| ChEMBL ID | CHEMBL395358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKDBTNDUTIFYHL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
5.05
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.13
EC50 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199 | EC50 | 7.13 | 7.13 | 73.6 | 1 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 7.13 | 7.13 | 73.6 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 3 | EC50 | = | 73.6 | nM | 7.13 | Inhibition of RIPK3 (unknown origin) expressed in NIH3T3 cells assessed as inhib... | 36781172 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 73.6 | nM | 7.13 | Inhibition of RIPK1 (unknown origin) | 31622096 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 75.0 | nM | 7.12 | Inhibition of RET kinase in Sf9 cells | 17884497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 31622096 | 10.1021/acs.jmedchem.9b01317 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 36781172 | 10.1021/acs.jmedchem.2c01621 | Receptor-interacting serine/threonine-protein kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine