Compound Detail
CHEMBL136164
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CC1(C)CCN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL136164 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QRPCKZKAIDYUFX-WAOWUJCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
0.89
ALogP
7
HBA
5
HBD
179.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.42 | 6.42 | 376.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 376.0 | nM | 6.42 | 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