Compound Detail
CHEMBL446372
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NCCCC[C@H](NC(=O)CN(C(=O)[C@H](N)CC1CCCCC1)C1CC1)C(=O)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL446372 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MIOHCCFKHZQDPS-MOPGFXCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
2.23
ALogP
7
HBA
3
HBD
131.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 13.0 | nM | 7.89 | Inhibitory activity against thrombin. | 12238922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238922 | 10.1021/jm011110z | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine