Compound Detail
CHEMBL197668
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Basic Information
| ChEMBL ID | CHEMBL197668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFKMNQOVWBQOFV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
5.25
ALogP
7
HBA
1
HBD
81.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 10.1 | 10.1 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.08 | nM | 10.1 | Inhibitory constant against thrombin | 16137886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16137886 | 10.1016/j.bmcl.2005.07.022 | Prothrombin | 1 |
| 16137886 | 10.1016/j.bmcl.2005.07.022 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine