Compound Detail
CHEMBL2151085
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Basic Information
| ChEMBL ID | CHEMBL2151085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTSGYOURKJMREN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
7.03
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | EC50 | = | 70.0 | nM | 7.16 | Inhibition of amyloid beta 42 in human HEK293 cells | 33569941 |
| Unchecked | IC50 | = | 69.0 | nM | 7.16 | Inhibition of gamma secretase assessed as reduction in Abeta42 production | 21141968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21141968 | 10.1021/jm101168r | Unchecked | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine