Compound Detail
CHEMBL1269155
EFETOZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1269155 |
| Name | EFETOZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CILDGVODBJAMGO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
2
Known Names
Molecular Properties
186.3
MW (Da)
2.80
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4802 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 800.0 | nM | 6.1 | Selectivity ratio, ratio of IC50 for bovine eNOS to IC50 for mouse macrophage iN... | 20933416 |
| Nitric oxide synthase 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of rat brain nNOS assessed as nitric oxide mediated oxidation of oxyh... | 20933416 |
| Nitric oxide synthase 3 | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of bovine eNOS assessed as nitric oxide mediated oxidation of oxyhemo... | 20933416 |
| Nitric oxide synthase, inducible | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of mouse macrophage iNOS assessed as nitric oxide mediated oxidation ... | 20933416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Unchecked | 3 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase 3 | 1 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase 1 | 1 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine