Compound Detail
CHEMBL3663945
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Basic Information
| ChEMBL ID | CHEMBL3663945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQMDEZWOGBKTGN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
259.2
MW (Da)
2.32
ALogP
6
HBA
4
HBD
107.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.13
Ki 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | Ki | 5.79 | 5.79 | 1640.0 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 5.13 | 5.13 | 7340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Ki | = | 1640.0 | nM | 5.79 | Competitive Binding Assay: The compounds prepared in the preceding examples were... | - |
| Microtubule-associated protein tau | IC50 | = | 7340.0 | nM | 5.13 | Thio S Fluorometry Assay: The Thio S fluorometry assay as a primary screening me... | - |
Data from ChEMBL 36 via Core Engine