Compound Detail
CHEMBL343495
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Basic Information
| ChEMBL ID | CHEMBL343495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPKMAEAWPAAGEP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
2.27
ALogP
6
HBA
4
HBD
156.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 73.33 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 3850.0 | nM | - |
| T1/2 | 0.96 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 2.4 | nM | 8.62 | Binding affinity against human coagulation factor X | 11087565 |
| Serine protease 1 | Ki | = | 47.0 | nM | 7.33 | Binding affinity against human trypsin | 11087565 |
| Prothrombin | Ki | = | 2200.0 | nM | 5.66 | Binding affinity against human thrombin | 11087565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087565 | 10.1021/jm000113t | Homo sapiens | 2 |
| 11087565 | 10.1021/jm000113t | ADMET | 2 |
| 11087565 | 10.1021/jm000113t | Coagulation factor X | 1 |
| 11087565 | 10.1021/jm000113t | Prothrombin | 1 |
| 11087565 | 10.1021/jm000113t | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine