Compound Detail
CHEMBL281779
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Cc1nnc2n1-c1sc(C#CCn3c(=O)n(-c4ccccc4)c4ccccc43)cc1C(c1ccccc1Cl)=NC2
Basic Information
| ChEMBL ID | CHEMBL281779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJCMEXWIPFPQJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
561.1
MW (Da)
5.80
ALogP
8
HBA
0
HBD
70.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 1.0 | nM | 9.0 | PAF-antagonist activity determined in dog platelets by PAF-binding assay | 2002463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2002463 | 10.1021/jm00107a048 | Platelet-activating factor receptor | 2 |
| 2002463 | 10.1021/jm00107a048 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine