Compound Detail
CHEMBL1788194
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CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL1788194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXCIEWBDUAPBJF-MUUNZHRXSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
551.8
MW (Da)
6.40
ALogP
7
HBA
0
HBD
94.1
PSA (Ų)
0.05
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | EC50 | 10.24 | 9.4 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | EC50 | = | 0.057 | nM | 10.24 | In vitro platelet aggregating activity in washed rabbit platelets | 4020830 |
| Oryctolagus cuniculus | EC50 | = | 0.057 | nM | 10.24 | Compound was tested in vitro for its ability to aggregate washed rabbit platelet... | 3572968 |
| Oryctolagus cuniculus | EC50 | = | 19.0 | nM | 7.72 | Compound was tested in vitro for its ability to aggregate platelet-rich plasma (... | 3572968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3572968 | 10.1021/jm00388a008 | Oryctolagus cuniculus | 2 |
| 3572968 | 10.1021/jm00388a008 | Cavia porcellus | 2 |
| 4020830 | 10.1021/jm00146a019 | Oryctolagus cuniculus | 1 |
| 4020830 | 10.1021/jm00146a019 | Cavia porcellus | 1 |
| 3572968 | 10.1021/jm00388a008 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine