Compound Detail
CHEMBL20644
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Cc1nnc2n1-c1sc(C#CCn3c4c(c5ccccc53)CCCCC4)cc1C(c1ccccc1Cl)=NC2
Basic Information
| ChEMBL ID | CHEMBL20644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACOAOQXYMXNUDR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.1
MW (Da)
6.92
ALogP
6
HBA
0
HBD
48.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 15.0 | nM | 7.82 | 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 | 2 |
Data from ChEMBL 36 via Core Engine