Compound Detail
CHEMBL330529
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL330529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGFYWXBSNMOKOK-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
254.4
MW (Da)
4.31
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
Kd 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.0 | 7.84 | 10.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Alpha-synuclein CHEMBL6152 | Kd | 6.52 | 6.52 | 300.0 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | Kd | 5.59 | 5.59 | 2550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10.0 | nM | 8.0 | In vitro binding using synthetic aggregated Abeta(1-40) fibrils | 11814781 |
| Amyloid-beta precursor protein | Ki | = | 10.0 | nM | 8.0 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
| Amyloid-beta precursor protein | Ki | = | 21.0 | nM | 7.68 | Radiolabeling of ThT and Radioligand Binding Assay: Initial competitive binding ... | - |
| Alpha-synuclein | Kd | = | 300.0 | nM | 6.52 | Binding affinity to Alpha-synuclein (unknown origin) preformed fibrils assessed ... | 38356330 |
| Microtubule-associated protein tau | Kd | = | 2550.0 | nM | 5.59 | Binding affinity to tau (unknown origin) preformed fibrils assessed as dissociat... | 38356330 |
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 |
| 31767406 | 10.1016/j.bmc.2019.115175 | Unchecked | 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 |
| 38356330 | 10.1021/acs.jmedchem.3c01719 | Alpha-synuclein | 1 |
| 38356330 | 10.1021/acs.jmedchem.3c01719 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine