Compound Detail
CHEMBL269206
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CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL269206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORNFGJQVFPEQTQ-SKCDSABHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
2.55
ALogP
6
HBA
4
HBD
130.6
PSA (Ų)
0.21
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| Prothrombin CHEMBL4471 | Ki | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.38 | nM | 9.42 | Binding affinity was determined against human thrombin | 11297451 |
| Prothrombin | Ki | = | 1.1 | nM | 8.96 | Binding affinity was determined against bovine thrombin. | 11297451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11297451 | 10.1021/jm000405u | Prothrombin | 2 |
Data from ChEMBL 36 via Core Engine