Compound Detail
CHEMBL48236
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Basic Information
| ChEMBL ID | CHEMBL48236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDMOSQMSSHIXRC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
1.48
ALogP
7
HBA
1
HBD
104.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.92 | 7.92 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 12.0 | nM | 7.92 | Inhibition of Coagulation factor Xa | 11958994 |
| Coagulation factor X | Ki | = | 12.0 | nM | 7.92 | Compound was evaluated for the inhibitory activity against Coagulation factor X | 10937736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11958994 | 10.1016/s0960-894x(02)00056-2 | Coagulation factor X | 1 |
| 10937736 | 10.1016/s0960-894x(00)00316-4 | Coagulation factor X | 1 |
| 10937736 | 10.1016/s0960-894x(00)00316-4 | Prothrombin | 1 |
| 10937736 | 10.1016/s0960-894x(00)00316-4 | Serine protease 1 | 1 |
| 10937736 | 10.1016/s0960-894x(00)00316-4 | Vitamin K-dependent protein C | 1 |
| 10937736 | 10.1016/s0960-894x(00)00316-4 | Plasminogen | 1 |
| 10937736 | 10.1016/s0960-894x(00)00316-4 | Tissue-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine