Compound Detail
CHEMBL432470
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NCCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL432470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEDXJZOPJKYUEL-UXWDXCIHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
0.78
ALogP
7
HBA
4
HBD
150.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
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 | Binding affinity towards thrombin was determined | 10212123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212123 | 10.1021/jm980052n | Prothrombin | 2 |
Data from ChEMBL 36 via Core Engine