None
AlkaPlorer ID: AK323253
Synonym: None
IUPAC Name: [[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Structure
SMILES: NC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]3O)C2=NC=N1
InChI: InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
InChIKey: NLIHPCYXRYQPSD-BAJZRUMYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phomopsis sp. | Phomopsis | Valsaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Codiaeum peltatum | Codiaeum | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 491.1830000000001
TPSA？: 258.8999999999999
MolLogP？: -0.5998000000000003
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis C virus | Hepatitis C virus NS5B RNA-dependent RNA polymerase | IC50 | 8800.0 | nM | 10.1128/aac.00186-07 |
| None | Unchecked | Activity | nan | None | 10.1128/aac.00186-07 |
| None | Unchecked | IC50 | 70.0 | nM | 10.1021/acs.jnatprod.8b00800 |
| None | Unchecked | IC50 | 140.0 | nM | 10.1021/acs.jnatprod.8b00800 |
| None | Unchecked | IC50 | 4400.0 | nM | 10.1128/aac.00186-07 |
| None | Unchecked | Inhibition | 96.1 | % | 10.1021/acs.jnatprod.9b01169 |
| None | Unchecked | Ratio IC50 | 2.0 | None | 10.1128/aac.00186-07 |