Compound Detail
CHEMBL95440
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CN(C)C(=O)n1cc(/C(=N/O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21
Basic Information
| ChEMBL ID | CHEMBL95440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DACOCEOSRMKXAC-UAUHELFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
6.19
ALogP
7
HBA
1
HBD
75.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 9.43 | 9.43 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 0.37 | nM | 9.43 | Binding affinity for platelet activating factor receptor using [3H]PAF in rabbit... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00511-Q | Rattus norvegicus | 2 |
| - | 10.1016/0960-894X(95)00511-Q | Platelet-activating factor receptor | 1 |
| - | 10.1016/0960-894X(95)00511-Q | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine