Compound Detail
CHEMBL480707
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Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL480707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGYIFQKZZSSUCR-OBXARNEKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
507.2
MW (Da)
-1.31
ALogP
13
HBA
7
HBD
278.9
PSA (Ų)
0.20
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 6.7333 | 20.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Dengue virus 2 NS5 polymerase-mediated RNA synthesis expressed in ... | 22050318 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Dengue virus NS5 polymerase assessed as inhibition of radiolabeled... | 22439591 |
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of Influenza virus A/X-31 RNA dependent RNA polymerase using ApG prim... | 29906392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31715099 | 10.1021/acs.jmedchem.9b01062 | Cyclic GMP-AMP synthase | 4 |
| 22050318 | 10.1021/np200715v | Unchecked | 2 |
| 31715099 | 10.1021/acs.jmedchem.9b01062 | Unchecked | 2 |
| 17502402 | 10.1128/aac.00186-07 | Unchecked | 1 |
| 22439591 | 10.1021/np300059n | Unchecked | 1 |
| 29906392 | 10.1021/acs.jmedchem.8b00617 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine