Compound Detail
CHEMBL1188560
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Basic Information
| ChEMBL ID | CHEMBL1188560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAICPDJBSSNBIF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.2
MW (Da)
2.48
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Heme oxygenase 2 CHEMBL3348 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Sprague-Dawley rat spleen microsomal HO-1 assessed as bilirubin fo... | 23867390 |
| Heme oxygenase 2 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Sprague-Dawley rat brain HO-2 assessed as bilirubin formation afte... | 23867390 |
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 |
Data from ChEMBL 36 via Core Engine