Compound Detail
CHEMBL4585912
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Basic Information
| ChEMBL ID | CHEMBL4585912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXHYTJOKRUPNFX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4596336 |
| Active Moiety | CHEMBL4596336 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
2.06
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.12
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ferroportin CHEMBL4523462 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Ferroportin CHEMBL3392948 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Ferroportin CHEMBL3392948 | EC50 | 7.12 | 6.665 | 75.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ferroportin | IC50 | = | 35.0 | nM | 7.46 | Inhibition of ferroportin in mouse J774 cells assessed as reduction in binding o... | - |
| Ferroportin | IC50 | = | 51.0 | nM | 7.29 | Binding affinity to C-terminal FLAG-tagged human ferroportin expressed in Pichia... | - |
| Ferroportin | EC50 | = | 75.0 | nM | 7.12 | Inhibition of GFP-tagged human ferroportin expressed in HEK293 #354 cells assess... | - |
| Ferroportin | EC50 | = | 620.0 | nM | 6.21 | Inhibition of GFP-tagged human ferroportin expressed in HEK293 #354 cells assess... | - |
Data from ChEMBL 36 via Core Engine