Compound Detail
CHEMBL1834089
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Basic Information
| ChEMBL ID | CHEMBL1834089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFTQRUTUGRCSGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
95.1
MW (Da)
0.06
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 79000.0 | nM | 4.1 | Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturb... | 21875802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37423128 | 10.1016/j.ejmech.2023.115617 | Mycobacterium tuberculosis | 2 |
| 21875802 | 10.1016/j.bmcl.2011.08.001 | Heat shock protein HSP 90-alpha | 1 |
| 37423128 | 10.1016/j.ejmech.2023.115617 | Mycobacterium kansasii | 1 |
| 37423128 | 10.1016/j.ejmech.2023.115617 | Mycobacterium avium | 1 |
| 37423128 | 10.1016/j.ejmech.2023.115617 | Mycolicibacterium smegmatis | 1 |
| 37423128 | 10.1016/j.ejmech.2023.115617 | Mycolicibacterium aurum | 1 |
| 37423128 | 10.1016/j.ejmech.2023.115617 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine