Compound Detail
CHEMBL2181047
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CN1CCN(c2ccc(/C=C/c3cc(/C=C/c4ccc(N5CCN(C)CC5)cc4)ncn3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL2181047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STKDVMHZHNRUJF-LQIBPGRFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.7
MW (Da)
4.32
ALogP
6
HBA
0
HBD
38.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2381.0 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 5.13 | 5.13 | 7469.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2381.0 | nM | 5.62 | Displacement of thiazene red from amyloid beta (1 to 40) aggregate | 22913544 |
| Microtubule-associated protein tau | IC50 | = | 7469.0 | nM | 5.13 | Displacement of thiazene red from tau aggregate | 22913544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22913544 | 10.1021/jm300653b | Microtubule-associated protein tau | 3 |
| 22913544 | 10.1021/jm300653b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine