Compound Detail
CHEMBL199218
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL199218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUKGQHYMGHPXPZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.28
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 6600.0 | nM | 5.18 | Binding affinity to Hsp90 by fluorescent polarization assay | 16202589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16202589 | 10.1016/j.bmcl.2005.08.092 | HCT-116 | 1 |
| 16202589 | 10.1016/j.bmcl.2005.08.092 | Heat shock protein HSP90 | 1 |
Data from ChEMBL 36 via Core Engine