Compound Detail
CHEMBL598619
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Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL598619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLCWZBFDIYXLAA-RYVZHVEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.2
MW (Da)
-1.64
ALogP
11
HBA
6
HBD
223.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL1075214 | Ki | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | Ki | = | 0.87 | nM | 9.06 | Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary elect... | 20146483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20146483 | 10.1021/jm901851t | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine