Compound Detail
CHEMBL168171
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Basic Information
| ChEMBL ID | CHEMBL168171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IALWLPCFKMIEIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
526.8
MW (Da)
7.11
ALogP
5
HBA
1
HBD
35.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.3 | nM | 9.52 | Binding inhibition against thrombin was measured by nonlinear regression analysi... | 10201846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10201846 | 10.1016/s0960-894x(99)00074-8 | Prothrombin | 2 |
| 10201846 | 10.1016/s0960-894x(99)00074-8 | ADMET | 2 |
| 10201846 | 10.1016/s0960-894x(99)00074-8 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine