Compound Detail
CHEMBL1834387
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Basic Information
| ChEMBL ID | CHEMBL1834387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYDLUXLMZMKADP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
1.19
ALogP
5
HBA
1
HBD
78.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 340.0 | nM | 6.47 | Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturb... | 21875802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21875802 | 10.1016/j.bmcl.2011.08.001 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine