Compound Detail
CHEMBL473364
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Basic Information
| ChEMBL ID | CHEMBL473364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUVJQUWHBWGZAD-IKGOIYPNSA-N |
| Parent Compound | CHEMBL1186637 |
| Active Moiety | CHEMBL1186637 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
421.0
MW (Da)
5.35
ALogP
5
HBA
0
HBD
36.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
| Cytochrome P450 3A1 CHEMBL3323 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Heme oxygenase 2 CHEMBL3348 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 940.0 | nM | 6.03 | Inhibition of heme oxygenase-1 in Sprague-Dawley rat spleen microsomal fraction ... | 19268600 |
| Cytochrome P450 3A1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of CYP3A1/CYP3A2-catalyzed erythromycin N-demethylase activity in dex... | 19268600 |
| Heme oxygenase 2 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of heme oxygenase-2 in Sprague-Dawley rat brain microsomal fraction a... | 19268600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19268600 | 10.1016/j.bmc.2009.01.078 | Heme oxygenase 1 | 1 |
| 19268600 | 10.1016/j.bmc.2009.01.078 | Heme oxygenase 2 | 1 |
| 19268600 | 10.1016/j.bmc.2009.01.078 | Unchecked | 1 |
| 19268600 | 10.1016/j.bmc.2009.01.078 | Cytochrome P450 2E1 | 1 |
| 19268600 | 10.1016/j.bmc.2009.01.078 | Cytochrome P450 3A1 | 1 |
Data from ChEMBL 36 via Core Engine