Compound Detail
CHEMBL495072
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Basic Information
| ChEMBL ID | CHEMBL495072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPIOYRIZNLPLDH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
292.8
MW (Da)
2.91
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 5.55 | 5.49 | 2800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as re... | 29454190 |
| Heme oxygenase 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of recombinant truncated HO-1 (Met1 to Pro267) in rat spleen microsom... | 30784878 |
| Heme oxygenase 1 | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of HO1 in rat spleen microsomal fraction assessed as carbon monoxide ... | 18798608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18798608 | 10.1021/jm800505m | Heme oxygenase 1 | 5 |
| 29454190 | 10.1016/j.ejmech.2018.02.007 | Heme oxygenase 1 | 1 |
| 29454190 | 10.1016/j.ejmech.2018.02.007 | Heme oxygenase 2 | 1 |
| 29454190 | 10.1016/j.ejmech.2018.02.007 | Unchecked | 1 |
| 30784878 | 10.1016/j.ejmech.2019.02.027 | Heme oxygenase 1 | 1 |
| 30784878 | 10.1016/j.ejmech.2019.02.027 | Heme oxygenase 2 | 1 |
Data from ChEMBL 36 via Core Engine