Compound Detail
CHEMBL10312
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Basic Information
| ChEMBL ID | CHEMBL10312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBKSJCYTPFAFGU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
432.1
MW (Da)
4.56
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1r subcomponent CHEMBL4611 | IC50 | 6.4 | 5.9 | 400.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1r subcomponent | IC50 | = | 400.0 | nM | 6.4 | Inhibition of 50% of human C1r Serine Protease by initially using Cbz-Gly-Arg-S-... | 9544206 |
| Complement C1r subcomponent | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibitory activity against purified human C1r protease protease | 10206542 |
| Complement C1r subcomponent | IC50 | = | 4000.0 | nM | 5.4 | 50% inhibition of human C1r serine protease after 60 mins using Cbz-Gly-Arg-S-Bz... | 9544206 |
| Complement C1r subcomponent | IC50 | = | 4000.0 | nM | 5.4 | Evaluated in vitro for inhibitory activity against purified human C1r protease i... | 10206542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544206 | 10.1021/jm970394d | Complement C1r subcomponent | 2 |
| 10206542 | 10.1016/s0960-894x(99)00095-5 | Complement C1r subcomponent | 2 |
| 9544206 | 10.1021/jm970394d | Serine protease 1 | 1 |
| 9544206 | 10.1021/jm970394d | Unchecked | 1 |
| 10206542 | 10.1016/s0960-894x(99)00095-5 | Serine protease 1 | 1 |
| 10206542 | 10.1016/s0960-894x(99)00095-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine