Compound Detail
CHEMBL5901795
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CSc1c(-c2cncc(F)c2)c(-c2ccccc2)nn1C[C@H]1CC[C@@H](COCC(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL5901795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAHKWAPEWNQHDG-HDICACEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
5.38
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL4869 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | IC50 | = | 220.0 | nM | 6.66 | Human Platelet Aggregation Inhibition Test: Blood collected from healthy human v... | - |
Data from ChEMBL 36 via Core Engine