Compound Detail
CHEMBL4443214
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Basic Information
| ChEMBL ID | CHEMBL4443214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGGMTYBHIUWQAO-RUDMXATFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.10
ALogP
4
HBA
1
HBD
101.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein disulfide-isomerase CHEMBL5422 | IC50 | 5.18 | 5.18 | 6640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein disulfide-isomerase | IC50 | = | 6640.0 | nM | 5.18 | Inhibition of recombinant human N-terminal His-tagged PDI expressed in Escherich... | 30759340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30759340 | 10.1021/acs.jmedchem.8b01951 | Protein disulfide-isomerase | 1 |
| 30759340 | 10.1021/acs.jmedchem.8b01951 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine