Compound Detail
CHEMBL4283995
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Basic Information
| ChEMBL ID | CHEMBL4283995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUGIZZANDHBHQG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.8
MW (Da)
3.05
ALogP
6
HBA
2
HBD
88.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 5.83 | 5.83 | 1461.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 1461.0 | nM | 5.83 | Endonuclease Activity Assay: Endonuclease activity assays were carried out in Bl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29202402 | 10.1016/j.ejmech.2017.11.054 | NCI-H1975 | 1 |
| 29202402 | 10.1016/j.ejmech.2017.11.054 | SK-BR-3 | 1 |
| 29202402 | 10.1016/j.ejmech.2017.11.054 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine