Compound Detail
CHEMBL2151205
E-2212 Phase I
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
Phase I
COc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1
Basic Information
| ChEMBL ID | CHEMBL2151205 |
| Name | E-2212 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | SSGLBUGNISHUAO-RDELFYGPSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
2
Known Names
1
Indications
Molecular Properties
480.5
MW (Da)
5.29
ALogP
7
HBA
0
HBD
70.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Alzheimer Disease
Activity Summary
IC50 3 meas. best 8.15
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.865 | 11.0 | 2 |
| Gamma-secretase CHEMBL2094135 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 7.0 | nM | 8.15 | Modulation of human gamma-secretase assessed as reduction in amyloidbeta42 level... | 38848667 |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibition of gamma secretase in mouse Neuro2 cells expressing endogenous levels... | 31122869 |
| Gamma-secretase | EC50 | = | 17.0 | nM | 7.77 | Modulation of human gamma-secretase assessed as inhibition of amyloid beta (1 to... | 27007185 |
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | Inhibition of gamma secretase assessed as reduction in Abeta42 production | 21141968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27007185 | 10.1021/acs.jmedchem.5b01960 | Homo sapiens | 2 |
| 21141968 | 10.1021/jm101168r | Unchecked | 1 |
| 31122869 | 10.1016/j.bmcl.2019.05.023 | Unchecked | 1 |
| 27007185 | 10.1021/acs.jmedchem.5b01960 | Gamma-secretase | 1 |
| 38848667 | 10.1021/acs.jmedchem.4c00580 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine