Compound Detail
CHEMBL4127819
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CC#C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL4127819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIQNSFSNNZIAAH-UGKPPGOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.2
MW (Da)
-2.11
ALogP
12
HBA
7
HBD
264.4
PSA (Ų)
0.14
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5 CHEMBL4295629 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Dengue virus RdRp activity using 5'-(TCAG)20(TCCAAG)14(TCAG)20-3' ... | 29801997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29801997 | 10.1016/j.bmcl.2018.04.069 | Nonstructural protein 5 | 1 |
| 29801997 | 10.1016/j.bmcl.2018.04.069 | DNA-directed RNA polymerase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine