Compound Detail
CHEMBL178130
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Basic Information
| ChEMBL ID | CHEMBL178130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCTWZJKHOGKNMX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.14
ALogP
6
HBA
4
HBD
124.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.17
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 6.17 | 6.17 | 680.0 | 1 |
| Heat shock protein HSP 90-beta CHEMBL4303 | Kd | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 680.0 | nM | 6.17 | In vitro dissociation constant for heat shock 90 kDa protein alpha | 15713410 |
| Heat shock protein HSP 90-beta | Kd | = | 680.0 | nM | 6.17 | Inhibition of Hsp90 by surface plasmon resonance assay | 19017562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713410 | 10.1016/j.bmcl.2004.12.087 | Heat shock protein HSP 90-alpha | 2 |
| 19017562 | 10.1016/j.bmc.2008.10.087 | Heat shock protein HSP 90-beta | 1 |
| 20045642 | 10.1016/j.bmcl.2009.12.060 | Unchecked | 1 |
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha-amylase 1A | 1 |
Data from ChEMBL 36 via Core Engine