| Compound Info | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| NAs | Base Info | ||||||||
| ID | Cluster | Name | Target | MolWt | |||||
|
NAs.002575 | 2 |
|
507.182 | |||||
| Chemical Representations | |
|---|---|
| InChI | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-31(24,27-29(18,19)20)28-30(21,22)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)(H2,21,22,23)/t4-,6-,7-,10-/m1/s1 |
| InChI Key | JYNBAMLJXRQZKA-KQYNXXCUSA-N |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(OP(=O)(O)O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
| Molecular Formula | C10H16N5O13P3 |
| Functional Fragments | ||
|---|---|---|
| Base | Ribose | Phosphate |
Match
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Match
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| Calculated Properties | ||
|---|---|---|
| logP | -1.629 | Computed by RDKit |
| Heavy Atom Count | 31 | Computed by RDKit |
| Ring Count | 3 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 14 | Computed by RDKit |
| Hydrogen Bond Donor Count | 7 | Computed by RDKit |
| Rotatable Bond Count | 8 | Computed by RDKit |
| Topological Polar Surface Area | 279.130 | Computed by RDKit |
| Activity Data | ||||||
|---|---|---|---|---|---|---|
| Target | Activity type | Relation | Value | Unit | Assay | Source |
| Human immunodeficiency virus type 1 reverse transcriptase | Inhibition | % | Inhibition of wild type HIV1 recombinant reverse transcriptase p66/p51 heterodimer at 10 nM after 10 mins by by gel-based radiolabeled primer extension assay | CHEMBL1777700 | ||
| Human immunodeficiency virus type 1 reverse transcriptase | Inhibition | % | Inhibition of NRTI-resistant HIV1 recombinant reverse transcriptase p66/p51 M184V/K65R/Y115F mutant at 10 uM after 10 mins by by gel-based radiolabeled primer extension assay | CHEMBL1777700 | ||
| Human immunodeficiency virus type 1 reverse transcriptase | Inhibition | % | Inhibition of NRTI-resistant HIV1 recombinant reverse transcriptase p66/p51 M184V/K65R/Y115F mutant at 10 nM after 10 mins by by gel-based radiolabeled primer extension assay | CHEMBL1777700 | ||
| Human immunodeficiency virus type 1 reverse transcriptase | Inhibition | % | Inhibition of NNRTI-resistant HIV1 recombinant reverse transcriptase p66/p51 heterodimer at 10 nM to 10 uM after 10 mins by gel-based radiolabeled primer extension assay | CHEMBL1777700 | ||
| Human immunodeficiency virus type 1 reverse transcriptase | Inhibition | % | Inhibition of NNRTI-resistant HIV1 recombinant reverse transcriptase p66/p51 heterodimer at 100 uM after 10 mins by gel-based radiolabeled primer extension assay | CHEMBL1777700 | ||