Compound Detail
CHEMBL1092857
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Basic Information
| ChEMBL ID | CHEMBL1092857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGQRNGPGBIJMET-RFLHHMENSA-N |
| Parent Compound | CHEMBL55380 |
| Active Moiety | CHEMBL55380 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.2
MW (Da)
4.63
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.05 | 9.5533 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.09 | nM | 10.05 | Binding affinity to amyloid beta (1 to 40) aggregates after 2 hrs by saturation ... | 20211565 |
| Unchecked | Ki | = | 0.13 | nM | 9.89 | Binding affinity to amyloid beta (1 to 42) aggregates after 2 hrs by saturation ... | 20211565 |
| Unchecked | Ki | = | 1.9 | nM | 8.72 | Binding affinity to amyloid beta (1-42) aggregates | 22236086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20211565 | 10.1016/j.bmc.2010.02.002 | Unchecked | 2 |
| 22236086 | 10.1021/jm201400q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine