Compound Detail
CHEMBL2304166
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C[C@@H]1C(=O)O[C@H]2[C@H](OCOCc3ccccc3)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O
Basic Information
| ChEMBL ID | CHEMBL2304166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATAYLENYWYIQNW-DZQZXAQMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.5
MW (Da)
0.83
ALogP
11
HBA
2
HBD
147.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 7.23 | 7.23 | 58.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 58.8 | nM | 7.23 | Compound was evaluated for anti-platelet activating factor potency | 9871752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871752 | 10.1016/s0960-894x(98)00205-4 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine