Compound Detail
CHEMBL3415243
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Basic Information
| ChEMBL ID | CHEMBL3415243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUHIGWXJNMLEQX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
4.29
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Heme oxygenase 2 CHEMBL3348 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of HO1 in Sprague-Dawley rat spleen microsomal fraction assessed as r... | 25874340 |
| Heme oxygenase 2 | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of HO2 in Sprague-Dawley rat brain microsomal fraction assessed as re... | 25874340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25874340 | 10.1016/j.ejmech.2015.04.003 | Heme oxygenase 2 | 1 |
| 25874340 | 10.1016/j.ejmech.2015.04.003 | Heme oxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine