Compound Detail
CHEMBL5632194
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Basic Information
| ChEMBL ID | CHEMBL5632194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXCYHAAUHUGWPR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.84
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein 75 kDa, mitochondrial CHEMBL1075132 | Kd | 6.05 | 6.05 | 890.0 | 1 |
| Endoplasmin CHEMBL1075323 | Kd | 4.46 | 4.46 | 35030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein 75 kDa, mitochondrial | Kd | = | 890.0 | nM | 6.05 | Binding affinity to TRAP1 (unknown origin) assessed as dissociation constant inc... | 37307624 |
| Endoplasmin | Kd | = | 35030.0 | nM | 4.46 | Binding affinity to GRP94 (unknown origin) assessed as dissociation constant inc... | 37307624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37307624 | 10.1016/j.ejmech.2023.115531 | Heat shock protein 75 kDa, mitochondrial | 1 |
| 37307624 | 10.1016/j.ejmech.2023.115531 | Endoplasmin | 1 |
| 37307624 | 10.1016/j.ejmech.2023.115531 | Heat shock protein HSP 90-alpha | 1 |
| 37307624 | 10.1016/j.ejmech.2023.115531 | SK-OV-3 | 1 |
| 37307624 | 10.1016/j.ejmech.2023.115531 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine