Compound Detail
CHEMBL346787
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C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5N)[C@]21O
Basic Information
| ChEMBL ID | CHEMBL346787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OONDPNQTNMFTRA-YVGQXPFBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
439.4
MW (Da)
-2.43
ALogP
11
HBA
4
HBD
174.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 5.06 | 5.06 | 8640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 8640.0 | nM | 5.06 | 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