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name Structure Reference Source Properties Activities Metabolism

9-Arabinofuranosyladenine; β-D-form, 5'-Phosphate 

AlkaPlorer ID: AK283324

Synonym: Vidarabine phosphate, CI 808

IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Structure

SMILES: NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O

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InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)

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InChIKey: UDMBCSSLTHHNCD-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Musca domestica Musca Muscidae Diptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 347.224

TPSA？: 186.07

MolLogP？: -1.8630000000000009

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
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

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT016540 N=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)[C@@H](O)[C@H]3O)c2[nH]1>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O enzymemap_80367
AKRT021638 Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O enzymemap_80294
AKRT021639 Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O enzymemap_80294