Compound Detail
CHEMBL243379
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Basic Information
| ChEMBL ID | CHEMBL243379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCNCDFVUGCPIIO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
3.98
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of Hsp90-dependent luciferase renaturation in rabbit reticulocyte aft... | 17223347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17223347 | 10.1016/j.bmc.2007.01.004 | SK-BR-3 | 2 |
| 17223347 | 10.1016/j.bmc.2007.01.004 | Unchecked | 1 |
| 17223347 | 10.1016/j.bmc.2007.01.004 | MCF7 | 1 |
| 21741236 | 10.1016/j.bmcl.2011.06.047 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine