Compound Detail
CHEMBL421954
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C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL421954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVFNXDMKAUKSEC-JGOJIRBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
6.12
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 550.0 | nM | 6.26 | 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