Compound Detail
CHEMBL169044
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Basic Information
| ChEMBL ID | CHEMBL169044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXCJIBDOEGNYBN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.2
MW (Da)
2.78
ALogP
5
HBA
0
HBD
80.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1r subcomponent CHEMBL4611 | IC50 | 5.55 | 5.075 | 2800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1r subcomponent | IC50 | = | 2800.0 | nM | 5.55 | In vitro inhibition of purified human C1r protease. | 10206542 |
| Complement C1r subcomponent | IC50 | = | 25000.0 | nM | 4.6 | Evaluated in vitro for inhibitory activity against purified human C1r protease i... | 10206542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10206542 | 10.1016/s0960-894x(99)00095-5 | Complement C1r subcomponent | 2 |
| 10206542 | 10.1016/s0960-894x(99)00095-5 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine