Compound Detail
CHEMBL4277126
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Basic Information
| ChEMBL ID | CHEMBL4277126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTJUJIMEPQBPDV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.8
MW (Da)
3.33
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.08 | 6.08 | 830.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 995.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 830.0 | nM | 6.08 | Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full... | 29202402 |
| Heat shock protein HSP 90-alpha | IC50 | = | 830.0 | nM | 6.08 | Endonuclease Activity Assay: Endonuclease activity assays were carried out in Bl... | - |
| Unchecked | IC50 | = | 995.0 | nM | 6.0 | Fluorescence Polarization Assay: Fluorescence polarization assay was performed t... | - |
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 | SK-BR-3 | 1 |
| 29202402 | 10.1016/j.ejmech.2017.11.054 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine