Compound Detail
CHEMBL425916
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O=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccccc1)c1ccccc1)[C@H]2O
Basic Information
| ChEMBL ID | CHEMBL425916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJQVCFYGSGMSPC-AHWVRZQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.84
ALogP
6
HBA
3
HBD
116.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.89 | 5.89 | 1290.0 | 1 |
| Cell line CHEMBL614840 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell line | IC50 | = | 1300.0 | nM | 5.89 | Inhibition concentration against ADP-induced platelet aggregation using human pl... | 15914004 |
| Homo sapiens | IC50 | = | 1290.0 | nM | 5.89 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma | 16824754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15914004 | 10.1016/j.bmcl.2005.04.047 | Cell line | 1 |
| 15914004 | 10.1016/j.bmcl.2005.04.047 | Rattus norvegicus | 1 |
| 16824754 | 10.1016/j.bmcl.2006.06.033 | Rattus norvegicus | 1 |
| 16824754 | 10.1016/j.bmcl.2006.06.033 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine