Compound Detail
CHEMBL361941
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Basic Information
| ChEMBL ID | CHEMBL361941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVWDLGJMLGXNMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.8
MW (Da)
5.61
ALogP
3
HBA
3
HBD
69.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL3536 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of yeast Hsp90 ATPase activity | 15955698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15955698 | 10.1016/j.bmcl.2005.05.046 | ATP-dependent molecular chaperone HSP82 | 1 |
| 15955698 | 10.1016/j.bmcl.2005.05.046 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine