Compound Detail
CHEMBL378832
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O=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1cccc(F)c1)c1cccc(F)c1)C2
Basic Information
| ChEMBL ID | CHEMBL378832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSIKFTPNWMVDAC-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
4.62
ALogP
5
HBA
2
HBD
96.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.5 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 14.0 | nM | 7.85 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma | 16824754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16824754 | 10.1016/j.bmcl.2006.06.033 | Rattus norvegicus | 1 |
| 16824754 | 10.1016/j.bmcl.2006.06.033 | Homo sapiens | 1 |
| 16824754 | 10.1016/j.bmcl.2006.06.033 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine