Compound Detail
CHEMBL105212
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Basic Information
| ChEMBL ID | CHEMBL105212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWAQYXMBYJRGPV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.44
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.44 | 9.44 | 0.4 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.36 | nM | 9.44 | Binding affinity towards thrombin was tested. | 9871674 |
| Coagulation factor X | Ki | = | 320.0 | nM | 6.5 | Binding affinity towards complement factor Xa. | 9871674 |
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Coagulation factor I. | 9871674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871674 | 10.1016/s0960-894x(98)00013-4 | Unchecked | 2 |
| 9871674 | 10.1016/s0960-894x(98)00013-4 | Prothrombin | 1 |
| 9871674 | 10.1016/s0960-894x(98)00013-4 | Coagulation factor X | 1 |
| 9871674 | 10.1016/s0960-894x(98)00013-4 | Thrombin and coagulation factor X | 1 |
| 9871674 | 10.1016/s0960-894x(98)00013-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine