Compound Detail
CHEMBL149102
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CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O
Basic Information
| ChEMBL ID | CHEMBL149102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPUMXAQMXKZBRD-LIJUPOBVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.47
ALogP
4
HBA
0
HBD
55.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 410.0 | nM | 6.39 | Inhibiting Platelet activating factor receptor by radioreceptor binding assay us... | 8978857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978857 | 10.1021/jm950640q | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine