Compound Detail
CHEMBL3586254
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Basic Information
| ChEMBL ID | CHEMBL3586254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLLMWDJOFJHBEI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
1.54
ALogP
4
HBA
2
HBD
100.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 27000.0 | nM | 4.57 | Binding affinity to Fe(2) assessed as half maximal concentration required for bi... | 26022078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26022078 | 10.1016/j.bmc.2015.05.003 | No relevant target | 1 |
| 26022078 | 10.1016/j.bmc.2015.05.003 | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine