Compound Detail
CHEMBL100109
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CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O
Basic Information
| ChEMBL ID | CHEMBL100109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCQIHCRMWNRFNP-QYZOEREBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.62 | 9.62 | 0.2 | 1 |
| Prothrombin CHEMBL4471 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.24 | nM | 9.62 | In vitro for inhibition of thrombin. | - |
| Prothrombin | Ki | = | 200.0 | nM | 6.7 | Concentration necessary to double time for clot formation induced by bovine thro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00525-2 | Prothrombin | 2 |
Data from ChEMBL 36 via Core Engine