Compound Detail
CHEMBL1641658
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Basic Information
| ChEMBL ID | CHEMBL1641658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYJNSXQTTDBDNO-WGDLNXRISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
7.34
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-22 CHEMBL614316 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-22 | EC50 | = | 12.0 | nM | 7.92 | Neuroprotective activity in mouse HT22 cells assessed as protection against glut... | 21129978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21129978 | 10.1016/j.bmc.2010.11.018 | ADMET | 3 |
| 21129978 | 10.1016/j.bmc.2010.11.018 | Estrogen receptor beta | 3 |
| 21129978 | 10.1016/j.bmc.2010.11.018 | Estrogen receptor | 3 |
| 21129978 | 10.1016/j.bmc.2010.11.018 | Aryl hydrocarbon receptor | 2 |
| 21129978 | 10.1016/j.bmc.2010.11.018 | HT-22 | 2 |
| 21129978 | 10.1016/j.bmc.2010.11.018 | Ishikawa | 1 |
| 21129978 | 10.1016/j.bmc.2010.11.018 | Unchecked | 1 |
| 21129978 | 10.1016/j.bmc.2010.11.018 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine