Compound Detail
CHEMBL165871
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Basic Information
| ChEMBL ID | CHEMBL165871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INQTWJVQCZWRGV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.8
MW (Da)
2.67
ALogP
5
HBA
0
HBD
80.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Complement C1r subcomponent CHEMBL4611 | IC50 | 4.62 | 4.43 | 24000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | IC50 | = | 4200.0 | nM | 5.38 | In vitro for inhibition of purified bovine trypsin. | 10206542 |
| Complement C1r subcomponent | IC50 | = | 24000.0 | nM | 4.62 | In vitro inhibition of purified human C1r protease. | 10206542 |
| Complement C1r subcomponent | IC50 | = | 58000.0 | nM | 4.24 | 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 |
| 10206542 | 10.1016/s0960-894x(99)00095-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine