Compound Detail
CHEMBL5415251
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Basic Information
| ChEMBL ID | CHEMBL5415251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBSMEKVVMYSTIH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
4.79
ALogP
6
HBA
2
HBD
91.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Kd 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-375 CHEMBL613859 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Endoplasmic reticulum chaperone BiP CHEMBL1781865 | Kd | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 1000.0 | nM | 6.0 | Antitumor activity against human A-375 cells assessed as reduction in cell growt... | 37690265 |
| Endoplasmic reticulum chaperone BiP | Kd | = | 25000.0 | nM | 4.6 | Binding affinity to GRP78 (unknown origin) assessed as dissociation constant | 37690265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36516003 | 10.1021/acs.jmedchem.2c01631 | Endoplasmic reticulum chaperone BiP | 1 |
| 37690265 | 10.1016/j.ejmech.2023.115792 | Endoplasmic reticulum chaperone BiP | 1 |
| 37690265 | 10.1016/j.ejmech.2023.115792 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine