Compound Detail
CHEMBL5410116
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Basic Information
| ChEMBL ID | CHEMBL5410116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJGWUBNPTFKRSO-DIFFPNOSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
4.02
ALogP
4
HBA
3
HBD
86.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock-related 70 kDa protein 2 CHEMBL2062348 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Heat shock cognate 71 kDa protein CHEMBL1275223 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock-related 70 kDa protein 2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of HspA2 (unknown origin) by FP assay | 36516003 |
| Heat shock cognate 71 kDa protein | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of HspA8 (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