Compound Detail
CHEMBL5086911
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Basic Information
| ChEMBL ID | CHEMBL5086911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVZNGPPPFPTWEL-KRWDZBQOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.12
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mixed lineage kinase domain-like protein CHEMBL1938217 | Kd | 4.3 | 3.985 | 50000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mixed lineage kinase domain-like protein | Kd | = | 50000.0 | nM | 4.3 | Binding affinity to MLKL N-terminal executioner domain (2 to 154 residues)(unkno... | 34672548 |
| Mixed lineage kinase domain-like protein | Kd | = | 215000.0 | nM | 3.67 | Binding affinity to MLKL N-terminal executioner domain (2 to 154 residues)(unkno... | 34672548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34672548 | 10.1021/acs.jmedchem.1c00686 | Mixed lineage kinase domain-like protein | 2 |
| 34672548 | 10.1021/acs.jmedchem.1c00686 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine