Compound Detail
CHEMBL5409255
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Basic Information
| ChEMBL ID | CHEMBL5409255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSDMEWYLVBCZOO-ONGXEEELSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.99
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmic reticulum chaperone BiP CHEMBL1781865 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Heat shock-related 70 kDa protein 2 CHEMBL2062348 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmic reticulum chaperone BiP | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of HspA5 (unknown origin) by FP assay | 36516003 |
| Heat shock-related 70 kDa protein 2 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of HspA2 (unknown origin) by FP assay | 36516003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Unchecked | 1 |
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Heat shock 70 kDa protein 1A | 1 |
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Heat shock-related 70 kDa protein 2 | 1 |
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Endoplasmic reticulum chaperone BiP | 1 |
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Heat shock 70 kDa protein 6 | 1 |
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Heat shock cognate 71 kDa protein | 1 |
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Stress-70 protein, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine