Compound Detail
CHEMBL208540
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Basic Information
| ChEMBL ID | CHEMBL208540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HITUNSGAOLHVND-HKOYGPOVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.3
MW (Da)
4.06
ALogP
6
HBA
1
HBD
62.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | IC50 | 5.26 | 5.225 | 5500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | IC50 | = | 5500.0 | nM | 5.26 | Survival of human SH-SY5Y cells after 48 hrs by MTS reduction assay | 16854069 |
| SH-SY5Y | IC50 | = | 6400.0 | nM | 5.19 | Death of human SH-SY5Y cells in absence of 20 uM Q-VD-OPh by MTS reduction assay | 16854069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854069 | 10.1021/jm060314i | SH-SY5Y | 6 |
| 16854069 | 10.1021/jm060314i | Glycogen synthase kinase-3 | 1 |
| 16854069 | 10.1021/jm060314i | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 16854069 | 10.1021/jm060314i | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine