Compound Detail
CHEMBL1444918
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Basic Information
| ChEMBL ID | CHEMBL1444918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTNXZTLBVIXWCB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.7
MW (Da)
1.50
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 7.39 | 7.39 | 41.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 41.14 | nM | 7.39 | PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay:... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36462436 | 10.1016/j.ejmech.2022.114855 | Prothrombin | 1 |
| 36462436 | 10.1016/j.ejmech.2022.114855 | Coagulation factor X | 1 |
| 36462436 | 10.1016/j.ejmech.2022.114855 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine