Compound Detail
CHEMBL3427690
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Nc1ncnc2c1nc(NCc1ccc(-c3ccccc3)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3427690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJLIKUSWRSEPSM-WGQQHEPDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
1.30
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/nucleoside cotransporter 2 CHEMBL5780 | IC50 | 6.19 | 6.19 | 640.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/nucleoside cotransporter 2 | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium... | 25815140 |
| Sodium/nucleoside cotransporter 2 | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed a... | 27007871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25815140 | 10.1021/ml500343r | Sodium/nucleoside cotransporter 2 | 4 |
| 27007871 | 10.1021/acs.jmedchem.5b01884 | Sodium/nucleoside cotransporter 2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 27007871 | 10.1021/acs.jmedchem.5b01884 | No relevant target | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine