Compound Detail
CHEMBL1774458
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Basic Information
| ChEMBL ID | CHEMBL1774458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAJRCNSEYLVKQJ-GJQNQZCXSA-N |
| Parent Compound | CHEMBL1774454 |
| Active Moiety | CHEMBL1774454 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.92
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.4 | nM | 8.62 | Displacement of [125I]IMPY from amyloid beta (1 to 42) fibrils after 2 hrs by ga... | 22690944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21428407 | 10.1021/jm200057u | Brain | 7 |
| 21428407 | 10.1021/jm200057u | Blood | 4 |
| 21428407 | 10.1021/jm200057u | Bone | 4 |
| 21428407 | 10.1021/jm200057u | Liver | 4 |
| 21428407 | 10.1021/jm200057u | Kidney | 4 |
| 21428407 | 10.1021/jm200057u | Intestine | 4 |
| 21428407 | 10.1021/jm200057u | Spleen | 4 |
| 21428407 | 10.1021/jm200057u | Lung | 4 |
| 21428407 | 10.1021/jm200057u | Pancreas | 4 |
| 21428407 | 10.1021/jm200057u | Heart | 4 |
| 21428407 | 10.1021/jm200057u | Stomach | 4 |
| 22690944 | 10.1021/jm300251n | Brain | 3 |
| 21428407 | 10.1021/jm200057u | Amyloid-beta precursor protein | 1 |
| 22690944 | 10.1021/jm300251n | No relevant target | 1 |
| 22690944 | 10.1021/jm300251n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine