Compound Detail
CHEMBL3809974
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Nc1ncnc2c1nc(NCc1ccc(-c3cccnc3)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3809974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMRRGNCWJFQTPB-QTQZEZTPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
0.69
ALogP
11
HBA
5
HBD
164.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/nucleoside cotransporter 2 CHEMBL5780 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/nucleoside cotransporter 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed a... | 27007871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27007871 | 10.1021/acs.jmedchem.5b01884 | Sodium/nucleoside cotransporter 2 | 3 |
Data from ChEMBL 36 via Core Engine