Compound Detail
CHEMBL284827
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Basic Information
| ChEMBL ID | CHEMBL284827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INUSBZKZIYQSRM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
1.96
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Heme oxygenase 1 CHEMBL5035 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Prostaglandin G/H synthase (cyclooxygenase) CHEMBL2111358 | IC50 | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 660.0 | nM | 6.18 | Inhibitory activity against thromboxane A2 synthetase | 3930740 |
| Heme oxygenase 1 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of HO-1 in Sprague-Dawley rat spleen microsomes using NADPH as substr... | 30784878 |
| Prostaglandin G/H synthase (cyclooxygenase) | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of ram seminal vesicle Cyclooxygenase | 3930740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3572983 | 10.1021/jm00388a035 | Mus musculus | 4 |
| 3930740 | 10.1021/jm00148a009 | Thromboxane-A synthase | 1 |
| 3930740 | 10.1021/jm00148a009 | Prostacyclin synthase | 1 |
| 3930740 | 10.1021/jm00148a009 | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
| 3930740 | 10.1021/jm00148a009 | Cytochrome P450 11B1, mitochondrial | 1 |
| 30784878 | 10.1016/j.ejmech.2019.02.027 | Heme oxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine