Compound Detail
CHEMBL1098317
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Basic Information
| ChEMBL ID | CHEMBL1098317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXPVEFQJXLQDFO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.1
MW (Da)
1.35
ALogP
7
HBA
0
HBD
82.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrolipoyl dehydrogenase CHEMBL3988585 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| SK-N-SH CHEMBL614924 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrolipoyl dehydrogenase | IC50 | = | 140.0 | nM | 6.85 | Inhibition Assay: The assay was performed in a manner similar to that described ... | - |
| SK-N-SH | EC50 | = | 190.0 | nM | 6.72 | Cytoprotection against rotenone-induced toxicity in human SK-N-SH cells after 48... | 19786349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19786349 | 10.1016/j.bmcl.2009.09.021 | SK-N-SH | 4 |
Data from ChEMBL 36 via Core Engine