Compound Detail
CHEMBL598408
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C[C@@H](O)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL598408 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IEEHOIHSXFCIGH-DKBJSJLHSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
-1.40
ALogP
6
HBA
5
HBD
153.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 8.54 | 8.22 | 2.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 2.89 | nM | 8.54 | Inhibition of adenosine diphosphate-induced pig platelet aggregation measured fo... | 20122838 |
| Platelet | IC50 | = | 4.14 | nM | 8.38 | Inhibition of platelet activating factor-induced pig platelet aggregation measur... | 20122838 |
| Platelet | IC50 | = | 10.04 | nM | 8.0 | Inhibition of arachidonic acid-induced pig platelet aggregation measured for 5 m... | 20122838 |
| Platelet | IC50 | = | 10.83 | nM | 7.96 | 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 | Rattus norvegicus | 5 |
| 20122838 | 10.1016/j.bmc.2010.01.009 | Platelet | 4 |
Data from ChEMBL 36 via Core Engine