Compound Detail
CHEMBL418455
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Basic Information
| ChEMBL ID | CHEMBL418455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITFHEGXMRYCTLF-WMWQKROPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.3
MW (Da)
5.44
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.1 | 5.1 | 8000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of amyloid beta 42 fibril formation by thioflavin T assay | 17270435 |
| Amyloid-beta precursor protein | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of amyloid beta42 fibril formation by thioflavin T formation | 18793854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384236 | 10.1021/jm010045q | Mus musculus | 27 |
| 17270435 | 10.1016/j.bmcl.2006.10.090 | Amyloid-beta precursor protein | 1 |
| 18793854 | 10.1016/j.bmcl.2008.08.111 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine