Compound Detail
CHEMBL3950003
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Basic Information
| ChEMBL ID | CHEMBL3950003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJAOUGLYTLQSDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
3.25
ALogP
5
HBA
3
HBD
100.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 6.35 | 6.35 | 446.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 446.0 | nM | 6.35 | Inhibition of human thrombin assessed as reduction in release of free nitroanili... | 27884512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27884512 | 10.1016/j.bmc.2016.11.012 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine