Compound Detail
CHEMBL373260
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Basic Information
| ChEMBL ID | CHEMBL373260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHTBQGNSMWIGIR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
1.45
ALogP
6
HBA
3
HBD
126.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.1 | 8.1 | 8.0 | 2 |
| Trypsin CHEMBL2095204 | Ki | 4.37 | 4.37 | 43000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 8.0 | nM | 8.1 | Binding affinity to thrombin | 16257203 |
| Prothrombin | Ki | = | 8.0 | nM | 8.1 | Inhibition of thrombin | 18291642 |
| Trypsin | Ki | = | 43000.0 | nM | 4.37 | Binding affinity to trypsin | 16257203 |
| Unchecked | Ki | = | 43000.0 | nM | 4.37 | Inhibition of trypsin | 18291642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16257203 | 10.1016/j.bmcl.2005.09.083 | Prothrombin | 1 |
| 16257203 | 10.1016/j.bmcl.2005.09.083 | Trypsin | 1 |
| 18291642 | 10.1016/j.bmcl.2008.01.098 | Unchecked | 1 |
| 18291642 | 10.1016/j.bmcl.2008.01.098 | Prothrombin | 1 |
| 18291642 | 10.1016/j.bmcl.2008.01.098 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine