Compound Detail
CHEMBL536518
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Basic Information
| ChEMBL ID | CHEMBL536518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGCJRPMXGUEHSN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188484 |
| Active Moiety | CHEMBL1188484 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
2.02
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Heme oxygenase 2 CHEMBL3348 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Sprague-Dawley rat spleen microsome HO1 | 17339115 |
| Heme oxygenase 2 | IC50 | = | 17900.0 | nM | 4.75 | Inhibition of Sprague-Dawley rat brain microsome HO2 | 17339115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17339115 | 10.1016/j.bmc.2007.02.034 | Heme oxygenase 1 | 1 |
| 17339115 | 10.1016/j.bmc.2007.02.034 | Heme oxygenase 2 | 1 |
| 17339115 | 10.1016/j.bmc.2007.02.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine