Compound Detail
CHEMBL161254
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Basic Information
| ChEMBL ID | CHEMBL161254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWCFIKGNUJGZBZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.2
MW (Da)
2.76
ALogP
5
HBA
0
HBD
86.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 6.94 | 6.94 | 115.8 | 1 |
| Complement C1r subcomponent CHEMBL4611 | IC50 | 4.82 | 4.63 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 115.76 | nM | 6.94 | PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay:... | - |
| Complement C1r subcomponent | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against C1r serine protease | - |
| Complement C1r subcomponent | IC50 | = | 36300.0 | nM | 4.44 | Inhibition of 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