Compound Detail
CHEMBL600830
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N[C@@H](CC(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL600830 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IAUOYSKWLPREFT-AVGNSLFASA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
-1.21
ALogP
6
HBA
5
HBD
187.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 8.46 | 8.1975 | 3.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 3.48 | nM | 8.46 | Inhibition of adenosine diphosphate-induced pig platelet aggregation measured fo... | 20122838 |
| Platelet | IC50 | = | 4.37 | nM | 8.36 | Inhibition of platelet activating factor-induced pig platelet aggregation measur... | 20122838 |
| Platelet | IC50 | = | 9.55 | nM | 8.02 | Inhibition of arachidonic acid-induced pig platelet aggregation measured for 5 m... | 20122838 |
| Platelet | IC50 | = | 11.12 | nM | 7.95 | Inhibition of thrombin-induced pig platelet aggregation measured for 5 mins | 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 | 1 |
Data from ChEMBL 36 via Core Engine