Compound Detail
CHEMBL4293186
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Basic Information
| ChEMBL ID | CHEMBL4293186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXMBGSSXZMSVGH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.85
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 7.94 | 7.94 | 11.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.94 | 7.94 | 11.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 11.4 | nM | 7.94 | Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full... | 29202402 |
| Unchecked | IC50 | = | 11.4 | nM | 7.94 | Fluorescence Polarization Assay: Fluorescence polarization assay was performed t... | - |
| Heat shock protein HSP 90-alpha | IC50 | = | 11.4 | nM | 7.94 | Endonuclease Activity Assay: Endonuclease activity assays were carried out in Bl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29202402 | 10.1016/j.ejmech.2017.11.054 | NCI-H1975 | 1 |
| 29202402 | 10.1016/j.ejmech.2017.11.054 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine