Compound Detail
CHEMBL511238
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CCCN1/C(=C/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-]
Basic Information
| ChEMBL ID | CHEMBL511238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHGJYSOYQRLQEA-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1187598 |
| Active Moiety | CHEMBL1187598 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
7.12
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.59 | 2570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2570.0 | nM | 5.59 | 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