Compound Detail
CHEMBL199094
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Basic Information
| ChEMBL ID | CHEMBL199094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDKOJCSVGWNASN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.8
MW (Da)
5.67
ALogP
4
HBA
1
HBD
51.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 25.0 | nM | 7.6 | Inhibitory constant against thrombin | 16137886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16137886 | 10.1016/j.bmcl.2005.07.022 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine