Compound Detail
CHEMBL159104
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL159104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNXOPVCYIODAON-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.1
MW (Da)
3.38
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1r subcomponent CHEMBL4611 | IC50 | 5.22 | 4.7333 | 6000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1r subcomponent | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of C1r serine protease | - |
| Complement C1r subcomponent | IC50 | = | 26000.0 | nM | 4.58 | Inhibitory activity against C1r serine protease | - |
| Complement C1r subcomponent | IC50 | = | 40000.0 | nM | 4.4 | 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