Compound Detail
CHEMBL9293
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CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc(C(N)NN)cc2)NS(=O)(=O)c2ccc3ccccc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL9293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUJXACBHQZAJFM-SKCDSABHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
1.45
ALogP
8
HBA
4
HBD
160.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 3300.0 | nM | 5.48 | Binding affinity was determined against human thrombin | 11297451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11297451 | 10.1021/jm000405u | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine