Compound Detail
CHEMBL1631115
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Basic Information
| ChEMBL ID | CHEMBL1631115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHNIGIBKPXEMDL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.01
ALogP
4
HBA
2
HBD
68.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.13
Kd 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL1293203 | EC50 | 5.13 | 5.13 | 7370.0 | 1 |
| Major prion protein CHEMBL3698 | Kd | 4.07 | 4.07 | 86100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | EC50 | = | 7370.0 | nM | 5.13 | Binding affinity to Syrian hamster PrPC assessed as inhibition of PrPC protein c... | 28951092 |
| Major prion protein | Kd | = | 86100.0 | nM | 4.07 | Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface pla... | 19015328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19015328 | 10.1128/aac.01112-08 | Major prion protein | 3 |
| 28951092 | 10.1016/j.bmc.2017.09.024 | Major prion protein | 2 |
Data from ChEMBL 36 via Core Engine