Compound Detail
CHEMBL89436
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Basic Information
| ChEMBL ID | CHEMBL89436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCZIUKYAJJEIQG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
96.1
MW (Da)
-0.55
ALogP
4
HBA
1
HBD
64.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 10000.0 | nM | 5.0 | Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturb... | 21875802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893304 | 10.1021/jm000017s | No relevant target | 1 |
| 10893304 | 10.1021/jm000017s | DNA gyrase | 1 |
| 21875802 | 10.1016/j.bmcl.2011.08.001 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine