Compound Detail
CHEMBL118672
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CCN(CC)C(=O)c1cnc2c(c1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL118672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKCBZQAFYITIIP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.09
ALogP
7
HBA
0
HBD
96.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 3.2 | nM | 8.49 | 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 |
| 7658439 | 10.1021/jm00018a012 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine