Compound Detail
CHEMBL1169460
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Basic Information
| ChEMBL ID | CHEMBL1169460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOBWIGMMBODBND-YQBCICDLSA-N |
| Parent Compound | CHEMBL196389 |
| Active Moiety | CHEMBL196389 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.88
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 15.0 | nM | 7.82 | Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers dise... | 16162001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162001 | 10.1021/jm050166g | ADMET | 40 |
| 16162001 | 10.1021/jm050166g | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine