Compound Detail
CHEMBL1161269
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Nc1ncnc2c1ncn2C1O[C@H](CO)[C@H](O[C@@H]2OC(CO)[C@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@@H]2O)[C@@H]1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL1161269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RENVITLQVBEFDT-WGPNJZTISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
669.3
MW (Da)
-3.80
ALogP
17
HBA
10
HBD
358.3
PSA (Ų)
0.10
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 9.0 | 8.425 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 1.0 | nM | 9.0 | Effective concentration causing half-maximal [Ca2+] release in rat hepatocytes w... | 14584937 |
| Rattus norvegicus | EC50 | = | 14.0 | nM | 7.85 | Effective concentration causing half-maximal [Ca2+] release in rat hepatocytes | 14584937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584937 | 10.1021/jm030883f | Rattus norvegicus | 3 |
| 14584937 | 10.1021/jm030883f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine