Compound Detail
CHEMBL566342
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Basic Information
| ChEMBL ID | CHEMBL566342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHHLVDUXDKULFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
6.30
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | IC50 | = | 82.0 | nM | 7.09 | Cytotoxicity against human SH-SY5Y cells assessed as cell viability after 48 hrs... | 19961183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19961183 | 10.1021/jm9010669 | SH-SY5Y | 3 |
Data from ChEMBL 36 via Core Engine