Compound Detail
CHEMBL153427
OXAGRELATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL153427 |
| Name | OXAGRELATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DUQOOLBWGUKRAJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
Molecular Properties
276.3
MW (Da)
1.21
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Phosphodiesterase 1 CHEMBL2095150 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | Ki | = | 1400.0 | nM | 5.85 | Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets | 2985781 |
| Phosphodiesterase 1 | Ki | = | 10000.0 | nM | 5.0 | Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of hu... | 2985781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Amine oxidase [flavin-containing] A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Histamine H3 receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prothrombin | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(3) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 1 |
| 2985781 | 10.1021/jm50001a001 | Phosphodiesterase 1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine