Compound Detail
CHEMBL3330754
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 | CHEMBL3330754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZYXWTIVKQICES-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
5.44
ALogP
3
HBA
1
HBD
32.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microtubule-associated protein tau | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thio... | 25086914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25086914 | 10.1016/j.ejmech.2014.07.095 | Amyloid-beta precursor protein | 2 |
| 25086914 | 10.1016/j.ejmech.2014.07.095 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine