Compound Detail
CHEMBL242108
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Basic Information
| ChEMBL ID | CHEMBL242108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZKZQHIHBPJQIL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.10
ALogP
4
HBA
3
HBD
85.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.5 | 5.5 | 3130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 3130.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17142046 | 10.1016/j.bmc.2006.11.020 | No relevant target | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Unchecked | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Chlorella vulgaris | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine