| Compound Info | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| NAs | Base Info | ||||||||
| ID | Cluster | Name | Target | MolWt | |||||
|
NAs.003896 | 0 |
|
524.169 | |||||
| Chemical Representations | |
|---|---|
| InChI | InChI=1S/C9H15N6O14P3/c10-4-1-2-15(8(18)12-4)7-5(16)6(17)9(27-7,13-14-11)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,5-7,16-17H,3H2,(H,22,23)(H,24,25)(H2,10,12,18)(H2,19,20,21)/t5-,6+,7-,9-/m1/s1 |
| InChI Key | SAVHTXGSGYWUMZ-JVZYCSMKSA-N |
| SMILES | [N-]=[N+]=N[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O |
| Molecular Formula | C9H15N6O14P3 |
| Functional Fragments | ||
|---|---|---|
| Base | Ribose | Phosphate |
Match
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Match
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| Calculated Properties | ||
|---|---|---|
| logP | -1.574 | Computed by RDKit |
| Heavy Atom Count | 32 | Computed by RDKit |
| Ring Count | 2 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 14 | Computed by RDKit |
| Hydrogen Bond Donor Count | 7 | Computed by RDKit |
| Rotatable Bond Count | 9 | Computed by RDKit |
| Topological Polar Surface Area | 319.180 | Computed by RDKit |
| Activity Data | ||||||
|---|---|---|---|---|---|---|
| Target | Activity type | Relation | Value | Unit | Assay | Source |
| Unchecked | IC50 | = | 240.0 | nM | Inhibition of Respiratory syncytial virus RNA polymerase in crude RSV RNP complex assessed as inhibition of [33P]CMP incorporation into RNA chain | CHEMBL3414561 |
| Nonstructural protein 5 | IC50 | = | 360.0 | nM | Inhibition of Dengue virus 2 NS5 full length RdRp activity using RNA as template/primer assessed as inhibition of [alpha3P]GTP incorporation by SDS-PAGE analysis | CHEMBL4118212 |