Compound Detail
CHEMBL3950857
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Basic Information
| ChEMBL ID | CHEMBL3950857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHTGUSSNNDOWJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
3.69
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ferroportin CHEMBL3392948 | IC50 | 6.01 | 6.01 | 985.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ferroportin | IC50 | = | 985.0 | nM | 6.01 | Antagonist activity at C-terminal halo-tag fused human ferroportin expressed in ... | - |
Data from ChEMBL 36 via Core Engine