Compound Detail
CHEMBL5431926
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CC(C)[C@H](NC(=O)c1cc2cc(-n3nnc4c3-c3ccccc3N(C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)c3ccc(C5c6ccc(N)cc6OC6=CC(=N)C=CC65)c(C(=O)O)c3)Cc3ccccc3-4)ccc2[nH]1)C(=O)Nc1nccs1
Basic Information
| ChEMBL ID | CHEMBL5431926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRXGZFKWTWLPGJ-ICUBTYBPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1265.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmic reticulum chaperone BiP CHEMBL1781865 | Kd | 6.48 | 6.48 | 334.0 | 1 |
| Stress-70 protein, mitochondrial CHEMBL4295757 | Kd | 5.13 | 5.13 | 7481.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmic reticulum chaperone BiP | Kd | = | 334.0 | nM | 6.48 | Binding affinity to HspA5 (unknown origin) assessed as dissociation constant by ... | 36516003 |
| Stress-70 protein, mitochondrial | Kd | = | 7481.0 | nM | 5.13 | Binding affinity to HspA9 (unknown origin) assessed as dissociation constant by ... | 36516003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Heat shock 70 kDa protein 1A | 1 |
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Heat shock 70 kDa protein 1-like | 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