Compound Detail
CHEMBL285140
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NCCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL285140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQSGNEYBCVENMM-IALVYGIMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
1.12
ALogP
7
HBA
4
HBD
133.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 2000.0 | nM | 5.7 | Inhibitory concentration against thrombin. | 10212122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212122 | 10.1021/jm980354p | Prothrombin | 2 |
| 10212122 | 10.1021/jm980354p | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine