Compound Detail
CHEMBL601451
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NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL601451 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DBVCYVIDQQXAAU-FHWLQOOXSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
0.09
ALogP
6
HBA
5
HBD
164.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 8.43 | 8.1875 | 3.7 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 3.73 | nM | 8.43 | Inhibition of adenosine diphosphate-induced pig platelet aggregation measured fo... | 20122838 |
| Platelet | IC50 | = | 5.67 | nM | 8.25 | Inhibition of platelet activating factor-induced pig platelet aggregation measur... | 20122838 |
| Platelet | IC50 | = | 8.98 | nM | 8.05 | Inhibition of thrombin-induced pig platelet aggregation measured for 5 mins | 20122838 |
| Platelet | IC50 | = | 9.64 | nM | 8.02 | Inhibition of arachidonic acid-induced pig platelet aggregation measured for 5 m... | 20122838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20122838 | 10.1016/j.bmc.2010.01.009 | Platelet | 4 |
| 20122838 | 10.1016/j.bmc.2010.01.009 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine