Compound Detail
CHEMBL3663941
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 | CHEMBL3663941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKKIWISQFSVGQX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.69
ALogP
7
HBA
4
HBD
106.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | Ki | 7.05 | 6.98 | 89.0 | 2 |
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 4.99 | 4.87 | 10240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Ki | = | 89.0 | nM | 7.05 | Competitive Binding Assay: The compounds prepared in the preceding examples were... | - |
| Alpha-synuclein | Ki | = | 124.0 | nM | 6.91 | Competitive Binding Assay: The compounds prepared in the preceding examples were... | - |
| Microtubule-associated protein tau | IC50 | = | 10240.0 | nM | 4.99 | Thio S Fluorometry Assay: The Thio S fluorometry assay as a primary screening me... | - |
| Microtubule-associated protein tau | IC50 | = | 17610.0 | nM | 4.75 | Thio S Fluorometry Assay: The Thio S fluorometry assay as a primary screening me... | - |
Data from ChEMBL 36 via Core Engine