Compound Detail
CHEMBL563814
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Basic Information
| ChEMBL ID | CHEMBL563814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GECNASNDCPHIDY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
1.20
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 4.24 | 4.24 | 57600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 57600.0 | nM | 4.24 | Inhibition of Sprague-Dawley rat spleen microsome HO-1 assessed as bilirubin for... | 34472337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19272678 | 10.1016/j.ejmech.2009.02.013 | Mycobacterium tuberculosis | 2 |
| 34472337 | 10.1021/acs.jmedchem.1c00633 | Heme oxygenase 2 | 1 |
| 34472337 | 10.1021/acs.jmedchem.1c00633 | Heme oxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine