Compound Detail
CHEMBL282549
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Basic Information
| ChEMBL ID | CHEMBL282549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNSIKAKIUZRPEO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.40
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.2 | 7.1733 | 63.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 63.0 | nM | 7.2 | Binding affinity towards human thrombin. | 12672230 |
| Prothrombin | Ki | = | 70.0 | nM | 7.16 | Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degr... | - |
| Prothrombin | Ki | = | 70.0 | nM | 7.16 | Compound was tested in vitro for its ability to inhibit serine protease thrombin... | 9873397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00210-2 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00210-2 | Serine protease 1 | 1 |
| - | 10.1016/S0960-894X(97)00210-2 | Plasminogen | 1 |
| 12672230 | 10.1021/jm021028j | Prothrombin | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine