Compound Detail
CHEMBL167550
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Basic Information
| ChEMBL ID | CHEMBL167550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QARABYRKGZNAQC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
2.17
ALogP
7
HBA
2
HBD
93.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 140.0 | nM | 6.85 | Inhibition of Thrombin | 12617893 |
| Serine protease 1 | Ki | = | 100000.0 | nM | 4.0 | Inhibition of Trypsin | 12617893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617893 | 10.1016/s0960-894x(03)00017-9 | Prothrombin | 1 |
| 12617893 | 10.1016/s0960-894x(03)00017-9 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine