Compound Detail
CHEMBL2059304
OXIPEROMIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2059304 |
| Name | OXIPEROMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NVDBBGBUTKLRSN-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
10
Publications
5
Known Names
Molecular Properties
337.4
MW (Da)
3.05
ALogP
4
HBA
1
HBD
50.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 1 meas. best 6.4
IC50 1 meas. best 5.68
Ki 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5.5 | nM | 8.26 | Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells af... | 22677319 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 400.0 | nM | 6.4 | Agonist activity at human M1 receptor expressed in CHO-K1 cells assessed as calc... | 22677319 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human ERG expressed in CHO cells after 30 mins by Rb+ flux assay | 22677319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22677319 | 10.1016/j.bmcl.2012.05.048 | No relevant target | 2 |
| 22677319 | 10.1016/j.bmcl.2012.05.048 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 22677319 | 10.1016/j.bmcl.2012.05.048 | Liver microsomes | 1 |
| 22677319 | 10.1016/j.bmcl.2012.05.048 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22677319 | 10.1016/j.bmcl.2012.05.048 | D(2) dopamine receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine