Compound Detail
CHEMBL1767407
DENUFOSOL TETRASODIUM 🧪 Phase III
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🧪 Phase III
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1767407 |
| Name | DENUFOSOL TETRASODIUM |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | PASYJVRFGUDDEW-WMUGRWSXSA-J |
| Parent Compound | CHEMBL507282 |
| Active Moiety | CHEMBL507282 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
4
Known Names
4
Indications
1
Mechanisms
Molecular Properties
773.3
MW (Da)
-2.87
ALogP
21
HBA
9
HBD
390.3
PSA (Ų)
0.09
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Purinergic receptor P2Y2 agonist | AGONIST | P2Y purinoceptor 2 | ✓ | ✓ |
Indications
Cystic Fibrosis Macular Edema Retinal Detachment Rhinitis, Allergic, Perennial
Activity Summary
EC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 6.7 | 6.68 | 200.0 | 2 |
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at P2Y2 receptor | 21417463 |
| P2Y purinoceptor 2 | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at human P2Y2 | 27413802 |
| P2Y purinoceptor 4 | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at P2Y4 receptor | 21417463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417463 | 10.1021/jm1016297 | P2Y purinoceptor 2 | 1 |
| 21417463 | 10.1021/jm1016297 | P2Y purinoceptor 4 | 1 |
| 21417463 | 10.1021/jm1016297 | P2Y purinoceptor 6 | 1 |
| 27413802 | 10.1021/acs.jmedchem.5b01972 | P2Y purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine