Compound Detail
CHEMBL5439289
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Cc1nnc2n1-c1sc3c(c1[C@@H](c1ccccc1Cl)NC2)C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C3
Basic Information
| ChEMBL ID | CHEMBL5439289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNRAZOAJJFFJIN-VOIUYBSRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.0
MW (Da)
5.53
ALogP
6
HBA
2
HBD
71.8
PSA (Ų)
0.35
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 0.4 | nM | 9.4 | Antagonist activity at human PAFR expressed in HEK293 cells assessed as inhibiti... | 37312843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37312843 | 10.1021/acsmedchemlett.3c00194 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine