Compound Detail
CHEMBL581354
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Basic Information
| ChEMBL ID | CHEMBL581354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUVVRSXPYYFNAP-BBRMVZONSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
3.30
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 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as re... | 29454190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine