Compound Detail
CHEMBL4539480
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4539480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTXILJLLHQQBLU-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
2.86
ALogP
6
HBA
3
HBD
95.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.66
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ferroportin CHEMBL4523462 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Ferroportin CHEMBL3392948 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Ferroportin CHEMBL3392948 | EC50 | 6.66 | 6.47 | 220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ferroportin | IC50 | = | 12.0 | nM | 7.92 | Inhibition of ferroportin in mouse J774 cells assessed as reduction in binding o... | - |
| Ferroportin | IC50 | = | 44.0 | nM | 7.36 | Binding affinity to C-terminal FLAG-tagged human ferroportin expressed in Pichia... | - |
| Ferroportin | EC50 | = | 220.0 | nM | 6.66 | Inhibition of GFP-tagged human ferroportin expressed in HEK293 #354 cells assess... | - |
| Ferroportin | EC50 | = | 530.0 | nM | 6.28 | Inhibition of GFP-tagged human ferroportin expressed in HEK293 #354 cells assess... | - |
Data from ChEMBL 36 via Core Engine