Compound Detail
CHEMBL1915559
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Basic Information
| ChEMBL ID | CHEMBL1915559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMJQQIIRCOMFNI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.0
MW (Da)
5.94
ALogP
6
HBA
1
HBD
52.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Gamma-secretase CHEMBL2094135 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.001 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | Inhibition of gamma secretase assessed as reduction in Abeta42 production | 21141968 |
| Gamma-secretase | IC50 | = | 214.0 | nM | 6.67 | Inhibition of gamma secretase in human H4 cells overexpressing human APP assesse... | 21924610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21924610 | 10.1016/j.bmcl.2011.08.060 | Mus musculus | 2 |
| 21924610 | 10.1016/j.bmcl.2011.08.060 | Cytochrome P450 2D6 | 1 |
| 21924610 | 10.1016/j.bmcl.2011.08.060 | Gamma-secretase | 1 |
| 21924610 | 10.1016/j.bmcl.2011.08.060 | NON-PROTEIN TARGET | 1 |
| 21141968 | 10.1021/jm101168r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine