Compound Detail
CHEMBL48016
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Basic Information
| ChEMBL ID | CHEMBL48016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAVUZVNSWVEHPL-UHFFFAOYSA-O |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.77
ALogP
2
HBA
1
HBD
39.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 58.0 | nM | 7.24 | Compound was evaluated for its inhibitory activity against human thrombin | 9873418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873418 | 10.1016/s0960-894x(98)00296-0 | Prothrombin | 1 |
| 9873418 | 10.1016/s0960-894x(98)00296-0 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine