Compound Detail
CHEMBL3941648
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Basic Information
| ChEMBL ID | CHEMBL3941648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJXXTBQLGLUVMS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.43
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ferroportin CHEMBL3392948 | IC50 | 5.44 | 5.44 | 3640.0 | 1 |
| Lactoylglutathione lyase CHEMBL2424 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ferroportin | IC50 | = | 3640.0 | nM | 5.44 | Antagonist activity at C-terminal halo-tag fused human ferroportin expressed in ... | - |
| Lactoylglutathione lyase | IC50 | = | 11200.0 | nM | 4.95 | Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) exp... | 30628789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30628789 | 10.1021/acs.jmedchem.8b01868 | Lactoylglutathione lyase | 1 |
Data from ChEMBL 36 via Core Engine