Compound Detail
CHEMBL568633
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Basic Information
| ChEMBL ID | CHEMBL568633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGBRLJGVLCQXLN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
241.7
MW (Da)
1.99
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Ki 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.58 | 6.58 | 260.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.46 | 6.46 | 348.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 348.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 260.0 | nM | 6.58 | Displacement of [3H]pGA from His-tagged Hsp90 by scintillation proximity assay | 19908836 |
| Unchecked | IC50 | = | 348.0 | nM | 6.46 | Fluorescence Polarization Assay: Fluorescence polarization assay was performed t... | - |
| Heat shock protein HSP 90-alpha | IC50 | = | 348.0 | nM | 6.46 | Endonuclease Activity Assay: Endonuclease activity assays were carried out in Bl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908836 | 10.1021/jm901209q | Heat shock protein HSP90 | 1 |
| 19908836 | 10.1021/jm901209q | Liver microsomes | 1 |
| 19908836 | 10.1021/jm901209q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine