Compound Detail
CHEMBL2158613
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Basic Information
| ChEMBL ID | CHEMBL2158613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDGRIJNRIGFCGI-RFLHHMENSA-N |
| Parent Compound | CHEMBL2221295 |
| Active Moiety | CHEMBL2221295 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.2
MW (Da)
4.17
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.1 | 9.1 | 0.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.8 | nM | 9.1 | Binding affinity to amyloid beta (1-42) aggregates | 22236086 |
| Unchecked | Ki | = | 0.8 | nM | 9.1 | Displacement of [125I]TZDM from amyloid beta (1 to 40) fibrils | 22690944 |
| Unchecked | Ki | = | 0.8 | nM | 9.1 | Displacement of [125I]IMPY from amyloid beta (1 to 42) fibrils after 2 hrs by ga... | 22690944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22690944 | 10.1021/jm300251n | Brain | 3 |
| 22690944 | 10.1021/jm300251n | Unchecked | 2 |
| 22236086 | 10.1021/jm201400q | Unchecked | 1 |
| 22690944 | 10.1021/jm300251n | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine