Compound Detail
CHEMBL173642
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Cc1nc2cnccc2n1CC1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1
Basic Information
| ChEMBL ID | CHEMBL173642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHBSJCZTAVJVLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
5.58
ALogP
6
HBA
0
HBD
76.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 2.5 | nM | 8.6 | Binding potency against Platelet activating factor (PAF) receptor using [3H]C18-... | 9438024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438024 | 10.1021/jm970389+ | Platelet-activating factor receptor | 3 |
Data from ChEMBL 36 via Core Engine