| Compound Info | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| NAs | Base Info | ||||||||
| ID | Cluster | Name | Target | MolWt | |||||
|
NAs.003634 | 2 |
|
397.231 | |||||
| Chemical Representations | |
|---|---|
| InChI | InChI=1S/C11H14F2N5O7P/c12-10(13)26(22,23)24-1-3-5(19)6(20)9(25-3)18-2-15-4-7(18)16-11(14)17-8(4)21/h2-3,5-6,9-10,19-20H,1H2,(H,22,23)(H3,14,16,17,21)/t3-,5-,6-,9?/m1/s1 |
| InChI Key | XVLNYMSWVRTVNF-LZGMGDPASA-N |
| SMILES | Nc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)C(F)F)[C@@H](O)[C@H]3O)c2n1 |
| Molecular Formula | C11H14F2N5O7P |
| Functional Fragments | ||
|---|---|---|
| Base | Ribose | Phosphate |
Match
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Match
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| Calculated Properties | ||
|---|---|---|
| logP | -0.842 | Computed by RDKit |
| Heavy Atom Count | 26 | Computed by RDKit |
| Ring Count | 3 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 11 | Computed by RDKit |
| Hydrogen Bond Donor Count | 5 | Computed by RDKit |
| Rotatable Bond Count | 5 | Computed by RDKit |
| Topological Polar Surface Area | 186.070 | Computed by RDKit |
| Activity Data | ||||||
|---|---|---|---|---|---|---|
| Target | Activity type | Relation | Value | Unit | Assay | Source |
| Avian myeloblastosis virus | IC50 | = | 150.0 | ug.mL-1 | The compound was evaluated as inhibitor of avian myeloblastosis virus (AMV) reverse transcriptase | CHEMBL1126397 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | ug.mL-1 | The compound were evaluated as inhibitor of recombinant HIV-l reverse transcriptase; Not tested | CHEMBL1126397 | ||