Compound Detail
CHEMBL332157
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Basic Information
| ChEMBL ID | CHEMBL332157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDSVRCGNSLPORJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
1.51
ALogP
8
HBA
4
HBD
182.7
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.43 | 10.43 | 0.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 8.19 | 8.19 | 6.4 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.33 | mL.min-1.kg-1 | Canis lupus familiaris |
| T1/2 | 0.65 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.037 | nM | 10.43 | Inhibition of human purified factor Xa | 12565931 |
| Serine protease 1 | Ki | = | 6.4 | nM | 8.19 | Inhibitory constant against trypsin using human purified enzymes | 12565931 |
| Prothrombin | Ki | = | 300.0 | nM | 6.52 | Inhibitory constant against thrombin using human purified enzymes | 12565931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565931 | 10.1016/s0960-894x(02)00951-4 | Canis familiaris | 2 |
| 12565931 | 10.1016/s0960-894x(02)00951-4 | Coagulation factor X | 1 |
| 12565931 | 10.1016/s0960-894x(02)00951-4 | Prothrombin | 1 |
| 12565931 | 10.1016/s0960-894x(02)00951-4 | Serine protease 1 | 1 |
| 12565931 | 10.1016/s0960-894x(02)00951-4 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine