2-{4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)oxolane-3,4-diol
AlkaPlorer ID: AK368790
Synonym: None
IUPAC Name: 7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Structure
SMILES: OC[C@H]1O[C@@H](N2C=CC3=C(O)N=CN=C32)[C@H](O)[C@@H]1O
InChI: InChI=1S/C11H13N3O5/c15-3-6-7(16)8(17)11(19-6)14-2-1-5-9(14)12-4-13-10(5)18/h1-2,4,6-8,11,15-17H,3H2,(H,12,13,18)/t6-,7-,8-,11-/m1/s1
InChIKey: DPRSKJHWKNHBOW-KCGFPETGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 267.241
TPSA？: 120.86
MolLogP？: -1.2516000000000005
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Bacillus anthracis | IC50 | nan | None | 10.1128/aac.01029-10 |
| Homo sapiens | HFF | IC50 | 10000.0 | nM | 10.1021/jm00119a006 |
| Homo sapiens | MRC5 | EC50 | 31300.0 | nM | 10.1016/j.ejmech.2019.112018 |
| Human adenovirus 2 | Human adenovirus 2 | Rating | 0.0 | None | 10.1021/jm00124a005 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | Rating | 1.0 | None | 10.1021/jm00124a005 |
| Human betaherpesvirus 5 | Human betaherpesvirus 5 | IC50 | 3500.0 | nM | 10.1021/jm00119a006 |
| Human respirovirus 3 | Human respirovirus 3 | Rating | 0.08 | None | 10.1021/jm00124a005 |
| Human rhinovirus 1A | Human rhinovirus 1A | Rating | 0.0 | None | 10.1021/jm00124a005 |
| Mus musculus | J774.A1 | Activity | nan | None | 10.1128/aac.01029-10 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | EC50 | 4200.0 | nM | 10.1016/j.ejmech.2019.112018 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | EC50 | 19100.0 | nM | 10.1016/j.ejmech.2019.112018 |
| None | ADMET | Activity | nan | None | 10.1128/aac.01029-10 |
| None | ADMET | Inhibition | 17.0 | % | 10.1021/jm00119a006 |
| None | Unchecked | Ratio EC50 | 1.6 | None | 10.1016/j.ejmech.2019.112018 |
| None | Unchecked | Ratio EC50 | 7.4 | None | 10.1016/j.ejmech.2019.112018 |