Compound Detail
CHEMBL2373945
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Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(COP(=O)(O)O)C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL2373945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTSUGKZNIRUKKK-HCLLPVKESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.7
MW (Da)
-0.55
ALogP
9
HBA
5
HBD
176.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | EC50 | 5.72 | 5.72 | 1890.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 1890.0 | nM | 5.72 | Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human ... | 11985476 |
| P2Y purinoceptor 1 | EC50 | = | 3900.0 | nM | 5.41 | Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte m... | 11985476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23286881 | 10.1021/jm301372c | Mus musculus | 4 |
| 11985476 | 10.1021/jm010538v | P2Y purinoceptor 1 | 2 |
| 23286881 | 10.1021/jm301372c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine