Compound Detail
CHEMBL570016
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL570016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHGDNTJXQKAOST-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
3.44
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 7.57 | 6.8867 | 27.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 27.0 | nM | 7.57 | Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay | 19660943 |
| Gamma-secretase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of partially purified human gamma-secretase-mediated cleavage of notc... | 23713656 |
| Gamma-secretase | IC50 | = | 327.0 | nM | 6.49 | Inhibition of partially purified human gamma-secretase-mediated cleavage of MBP-... | 23713656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23713656 | 10.1021/jm301741t | Liver microsomes | 4 |
| 23713656 | 10.1021/jm301741t | Liver | 4 |
| 23713656 | 10.1021/jm301741t | Unchecked | 3 |
| 23713656 | 10.1021/jm301741t | Gamma-secretase | 3 |
| 19660943 | 10.1016/j.bmcl.2009.07.092 | Gamma-secretase | 1 |
| 19660943 | 10.1016/j.bmcl.2009.07.092 | Liver microsomes | 1 |
| 19660943 | 10.1016/j.bmcl.2009.07.092 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine