Compound Detail
CHEMBL2414449
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Basic Information
| ChEMBL ID | CHEMBL2414449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODQWRJUFLZLQBW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.05
ALogP
6
HBA
0
HBD
83.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 2 CHEMBL3348 | IC50 | 4.38 | 4.38 | 41700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 2 | IC50 | = | 41700.0 | nM | 4.38 | Inhibition of HO2 in Sprague-Dawley rat brain microsomal fraction assessed as re... | 25874340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867390 | 10.1016/j.bmc.2013.06.040 | Heme oxygenase 2 | 1 |
| 23867390 | 10.1016/j.bmc.2013.06.040 | Heme oxygenase 1 | 1 |
| 25874340 | 10.1016/j.ejmech.2015.04.003 | Heme oxygenase 2 | 1 |
Data from ChEMBL 36 via Core Engine