Compound Detail
CHEMBL158462
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Basic Information
| ChEMBL ID | CHEMBL158462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYZXFRGEMSHXIR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
257.7
MW (Da)
3.51
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1r subcomponent CHEMBL4611 | IC50 | 4.76 | 4.555 | 17300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1r subcomponent | IC50 | = | 17300.0 | nM | 4.76 | Inhibition of C1r serine protease | - |
| Complement C1r subcomponent | IC50 | = | 45000.0 | nM | 4.35 | Inhibitory activity against C1r serine protease | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00094-7 | Complement C1r subcomponent | 3 |
Data from ChEMBL 36 via Core Engine