Compound Detail
CHEMBL1784883
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Basic Information
| ChEMBL ID | CHEMBL1784883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBTRCSBBDZVXOJ-LSCFUAHRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
0.67
ALogP
10
HBA
4
HBD
140.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.36
Ki 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.39 | 5.39 | 4070.0 | 1 |
| Endoplasmic reticulum chaperone BiP CHEMBL1781865 | Kd | 5.36 | 5.36 | 4360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4070.0 | nM | 5.39 | Inhibition of HSP70 by fluorescence polarization assay | 21526763 |
| Endoplasmic reticulum chaperone BiP | Kd | = | 4360.0 | nM | 5.36 | Binding affinity to histidine-tagged Grp78 by surface plasmon resonance analysis | 21526763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21526763 | 10.1021/jm101625x | Endoplasmic reticulum chaperone BiP | 1 |
| 21526763 | 10.1021/jm101625x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine