Compound Detail
CHEMBL2087703
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CCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCc4nc(C)c(C)nc4C)c4ccccn4)ccc3n2C)cc1
Basic Information
| ChEMBL ID | CHEMBL2087703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLUWYKPYCFNQPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
677.8
MW (Da)
4.94
ALogP
11
HBA
2
HBD
179.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 9.66 | 9.66 | 0.2 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.66 | 6.66 | 218.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 0.218 | nM | 9.66 | Antiplatelet activity in New Zealand rabbit platelet rich plasma assessed as inh... | 29432947 |
| NON-PROTEIN TARGET | IC50 | = | 218.0 | nM | 6.66 | Antiplatelet activity against rabbit platelets assessed as inhibition of thrombi... | 23043765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23043765 | 10.1016/j.ejmech.2012.09.016 | NON-PROTEIN TARGET | 1 |
| 29432947 | 10.1016/j.ejmech.2018.01.097 | Platelet | 1 |
Data from ChEMBL 36 via Core Engine