Compound Detail
CHEMBL334115
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CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@@H](C)CCCO
Basic Information
| ChEMBL ID | CHEMBL334115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGIFNSQNNAKTMR-VJBMBRPKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.7
MW (Da)
5.28
ALogP
9
HBA
1
HBD
109.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | Ki | 8.54 | 8.485 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 2.86 | nM | 8.54 | Inhibition of the binding of [3H]C18-Platelet activating factor to human platele... | 1404229 |
| Platelet-activating factor receptor | Ki | = | 3.7 | nM | 8.43 | In vitro effect on inhibition of the binding of [3H]C18-Platelet activating fact... | 1404229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1404229 | 10.1021/jm00097a005 | Platelet-activating factor receptor | 2 |
| 1404229 | 10.1021/jm00097a005 | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine