Compound Detail
CHEMBL109822
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Basic Information
| ChEMBL ID | CHEMBL109822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARWHTQLGMWHTAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
2.67
ALogP
7
HBA
1
HBD
88.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 17100.0 | nM | 4.77 | Inhibition of ATP-ase activity in human colon tumor cell line (HCT116) | 14698151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698151 | 10.1016/j.bmcl.2003.11.011 | Heat shock protein HSP90 | 1 |
Data from ChEMBL 36 via Core Engine