Compound Detail
CHEMBL507282
DENUFOSOL 🧪 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
Basic Information
| ChEMBL ID | CHEMBL507282 |
| Name | DENUFOSOL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FPNPSEMJLALQSA-MIYUEGBISA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
1
Known Names
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 |
Activity Summary
EC50 5 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 6.85 | 6.6933 | 140.0 | 3 |
| P2Y purinoceptor 6 CHEMBL4714 | EC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 140.0 | nM | 6.85 | Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed... | 18514530 |
| P2Y purinoceptor 4 | EC50 | = | 140.0 | nM | 6.85 | Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed... | 18514530 |
| P2Y purinoceptor 2 | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed... | 20095577 |
| P2Y purinoceptor 2 | EC50 | = | 270.0 | nM | 6.57 | Agonist activity at human recombinant P2Y2 receptor expressed in 1321N1 cells as... | 17302398 |
| P2Y purinoceptor 6 | EC50 | = | 950.0 | nM | 6.02 | Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed... | 18514530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17302398 | 10.1021/jm060903o | P2Y purinoceptor 2 | 1 |
| 18514530 | 10.1016/j.bmc.2008.05.013 | P2Y purinoceptor 2 | 1 |
| 18514530 | 10.1016/j.bmc.2008.05.013 | P2Y purinoceptor 4 | 1 |
| 18514530 | 10.1016/j.bmc.2008.05.013 | P2Y purinoceptor 6 | 1 |
| 20095577 | 10.1021/jm901450d | P2Y purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine