Compound Detail
CHEMBL93334
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Basic Information
| ChEMBL ID | CHEMBL93334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHJRKGXJBXPBGA-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
4.01
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.89
Kd 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.89 | 8.29 | 1.3 | 3 |
| Unchecked CHEMBL612545 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 1.28 | nM | 8.89 | Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain... | 19845387 |
| Amyloid-beta precursor protein | Ki | = | 9.6 | nM | 8.02 | Radiolabeling of ThT and Radioligand Binding Assay: Initial competitive binding ... | - |
| Unchecked | Ki | = | 11.0 | nM | 7.96 | In vitro binding using synthetic aggregated Abeta(1-40) fibrils | 11814781 |
| Amyloid-beta precursor protein | Ki | = | 11.0 | nM | 7.96 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
| Unchecked | Kd | = | 300.0 | nM | 6.52 | Binding affinity to amyloid beta (1 to 40) | 20621493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12801237 | 10.1021/jm030026b | Unchecked | 3 |
| 11814781 | 10.1016/s0960-894x(01)00734-x | Unchecked | 2 |
| 11814781 | 10.1016/s0960-894x(01)00734-x | Mus musculus | 2 |
| 11814781 | 10.1016/s0960-894x(01)00734-x | No relevant target | 1 |
| 12801237 | 10.1021/jm030026b | No relevant target | 1 |
| 12801237 | 10.1021/jm030026b | Amyloid-beta precursor protein | 1 |
| 19845387 | 10.1021/jm901039z | Amyloid-beta precursor protein | 1 |
| 20621493 | 10.1016/j.bmc.2010.06.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine