Compound Detail
CHEMBL83532
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Basic Information
| ChEMBL ID | CHEMBL83532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEHSPPUZTYSQIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
3.12
ALogP
7
HBA
2
HBD
114.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL3656 | Ki | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 250.0 | nM | 6.6 | In vitro evaluation of inhibitory activity against Coagulation factor X in proth... | 10498204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498204 | 10.1016/s0960-894x(99)00421-7 | No relevant target | 1 |
| 10498204 | 10.1016/s0960-894x(99)00421-7 | Coagulation factor X | 1 |
| 10498204 | 10.1016/s0960-894x(99)00421-7 | Prothrombin | 1 |
| 10498204 | 10.1016/s0960-894x(99)00421-7 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine