Compound Detail
CHEMBL158006
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C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@@H]5O)[C@]21O
Basic Information
| ChEMBL ID | CHEMBL158006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPOMAFCMSAKBRX-NYHCLUFFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
-0.17
ALogP
11
HBA
3
HBD
158.1
PSA (Ų)
0.35
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 5.78 | 5.78 | 1670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 1670.0 | nM | 5.78 | Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (guinea p... | 12570381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570381 | 10.1021/jm0203985 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine