Compound Detail
CHEMBL394400
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Basic Information
| ChEMBL ID | CHEMBL394400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUQJYRXMLSGBKQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.08
ALogP
5
HBA
1
HBD
57.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL1293203 | Kd | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | Kd | = | 15500.0 | nM | 4.81 | Binding affinity to Syrian hamster PrPC | 28951092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28951092 | 10.1016/j.bmc.2017.09.024 | Unchecked | 2 |
| 17462892 | 10.1016/j.bmcl.2007.04.017 | Unchecked | 1 |
| 28951092 | 10.1016/j.bmc.2017.09.024 | Major prion protein | 1 |
| 28951092 | 10.1016/j.bmc.2017.09.024 | ScN2a | 1 |
Data from ChEMBL 36 via Core Engine