Pyrazofurin
AlkaPlorer ID: AK021855
Synonym: None
IUPAC Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
Structure
SMILES: NC(=O)C1=C(O)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=NN1
InChI: InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7-,8+/m1/s1
InChIKey: XESARGFCSKSFID-FLLFQEBCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Simmondsia chinensis | Simmondsia | Simmondsiaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos pungens | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Carpesium abrotanoides | Carpesium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 259.218
TPSA？: 161.92
MolLogP？: -2.6318000000000006
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Uridine 5'-monophosphate synthase | Ki | 17.0 | nM | 10.1016/j.bmc.2017.11.037 |
| Methanobacterium thermoautotrophicum | Orotidine 5'-phosphate decarboxylase | Ki | 6200.0 | nM | 10.1016/j.bmc.2017.11.037 |
| Mus musculus | Monoamine oxidase A | Activity | nan | None | 10.1021/jm800656v |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |