Compound Detail
CHEMBL2347117
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CCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)Oc4ccc(/C=C/C(=O)OC)cc4OC)c4ccccn4)ccc3n2C)cc1
Basic Information
| ChEMBL ID | CHEMBL2347117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQFNOMXBYFIAJP-FYJGNVAPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
789.9
MW (Da)
6.84
ALogP
12
HBA
2
HBD
189.6
PSA (Ų)
0.02
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 290.0 | nM | 6.54 | Inhibition of thrombin-induced rabbit platelet aggregation compound pre-incubate... | 23466230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23466230 | 10.1016/j.bmcl.2013.01.126 | Platelet | 2 |
| 23466230 | 10.1016/j.bmcl.2013.01.126 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine