Compound Detail
CHEMBL18516
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Basic Information
| ChEMBL ID | CHEMBL18516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJQFUOPHSUCEMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.8
MW (Da)
6.39
ALogP
6
HBA
2
HBD
62.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 11.0 | nM | 7.96 | 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 |
| 10866380 | 10.1016/s0960-894x(00)00211-0 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine