Compound Detail
CHEMBL3427679
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL3427679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYBKZMMJXHMFSZ-LSCFUAHRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
-0.06
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.53
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock cognate 71 kDa protein CHEMBL1275223 | Kd | 6.53 | 6.525 | 295.1 | 2 |
| Sodium/nucleoside cotransporter 2 CHEMBL5780 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock cognate 71 kDa protein | Kd | = | 295.12 | nM | 6.53 | Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysi... | 27119979 |
| Heat shock cognate 71 kDa protein | Kd | = | 300.0 | nM | 6.52 | Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysi... | 27119979 |
| Sodium/nucleoside cotransporter 2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium... | 25815140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27119979 | 10.1021/acs.jmedchem.5b02001 | Heat shock cognate 71 kDa protein | 2 |
| 25815140 | 10.1021/ml500343r | Sodium/nucleoside cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine