Compound Detail
CHEMBL324121
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Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccc(Cl)cc4)nn(C)c3N(C)C(=O)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL324121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXGYTUBVAKXMAQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
5.27
ALogP
7
HBA
0
HBD
81.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 0.6 | nM | 9.22 | In vitro antagonist activity against platelet activating factor (PAF) receptor, ... | 7658439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658439 | 10.1021/jm00018a012 | Platelet-activating factor receptor | 2 |
Data from ChEMBL 36 via Core Engine