Compound Detail
CHEMBL469145
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
CCN1/C(=C/C(C)=C/c2sc3c4ccccc4ccc3[n+]2CC)Sc2c1ccc1ccccc21.[Br-]
Basic Information
| ChEMBL ID | CHEMBL469145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOIBMGNZSCTDBI-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1186546 |
| Active Moiety | CHEMBL1186546 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.7
MW (Da)
8.39
ALogP
3
HBA
0
HBD
7.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.48 | 5.48 | 3290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3290.0 | nM | 5.48 | Inhibition of His-tagged human recombinant 2N4R tau protein aggregation assessed... | 19432420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19432420 | 10.1021/jm900116d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine