Compound Detail
CHEMBL1671878
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Basic Information
| ChEMBL ID | CHEMBL1671878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSLILWZEKOAVKQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.27
ALogP
5
HBA
1
HBD
38.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.46 | 8.35 | 3.5 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 3.5 | nM | 8.46 | Displacement of [3H]PiB from human amyloid beta (1-40) at 100 nM after 180 mins ... | 21275403 |
| Unchecked | Ki | = | 3.5 | nM | 8.46 | Binding affinity to amyloid beta (1-42) aggregates | 22236086 |
| Amyloid-beta precursor protein | Ki | = | 5.8 | nM | 8.24 | Displacement of [3H]PiB from human amyloid beta (1-42) at 100 nM after 180 mins ... | 21275403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21275403 | 10.1021/jm101129a | Amyloid-beta precursor protein | 4 |
| 21275403 | 10.1021/jm101129a | Brain | 3 |
| 21275403 | 10.1021/jm101129a | No relevant target | 1 |
| 22236086 | 10.1021/jm201400q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine