Compound Detail
CHEMBL2017621
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Basic Information
| ChEMBL ID | CHEMBL2017621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWPSVHYBUBUUFS-AWDFDDCISA-N |
| Parent Compound | CHEMBL2068862 |
| Active Moiety | CHEMBL2068862 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.61
ALogP
5
HBA
1
HBD
38.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.68 | 8.585 | 2.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 2.1 | nM | 8.68 | Displacement of [3H]Pittsburgh compound B from human Abeta1-40 after 3 hrs by li... | 24900362 |
| Amyloid-beta precursor protein | Ki | = | 3.2 | nM | 8.49 | Displacement of [3H]Pittsburgh compound B from human Abeta1-42 after 3 hrs by li... | 24900362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900362 | 10.1021/ml200123w | Brain | 5 |
| 24900362 | 10.1021/ml200123w | Cortex | 3 |
| 24900362 | 10.1021/ml200123w | Blood | 2 |
| 24900362 | 10.1021/ml200123w | Amyloid-beta precursor protein | 2 |
| 22236086 | 10.1021/jm201400q | Brain | 2 |
| 24900362 | 10.1021/ml200123w | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine