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9-Arabinofuranosyladenine; β-D-form 

AlkaPlorer ID: AK283282

Synonym: Vidarabine, Spongoadenosine, Adena-A, Ara-A, Arasena-A, Panavirin, Plosarabine forte, Vira-A, CI 673, NSC 404241, Araadenosine

IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Structure

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

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InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)

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InChIKey: OIRDTQYFTABQOQ-UHFFFAOYSA-N

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Reference

New Flavonoids from Oxytropis myriophylla

PubChem CID: 191

CAS: 58-61-7

LOTUS: LTS0052576

COCONUT: CNP0216822.9

data_source: manually

Properties Information

Molecule Weight: 267.245

TPSA？: 139.54000000000002

MolLogP？: -1.9800000000000009

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli K-12 Beta-lactamase AmpC Potency 89125.1 nM None
Homo sapiens 786-0 GI50 43251.38 nM None
Homo sapiens A498 GI50 43451.02 nM None
Homo sapiens A498 GI50 93110.79 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens A549 GI50 132434.15 nM None
Homo sapiens ACHN GI50 40550.85 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 9196.2 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 273526.87 nM None
Homo sapiens CCRF-CEM GI50 34276.78 nM None
Homo sapiens CCRF-CEM GI50 36728.23 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens COLO 205 GI50 449779.85 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 Potency 12589.3 nM None
Homo sapiens DLD-1 GI50 373250.16 nM None
Homo sapiens DMS-114 GI50 68076.94 nM None
Homo sapiens DMS-273 GI50 102565.19 nM None
Homo sapiens DU-145 GI50 22855.99 nM None
Homo sapiens EKVX GI50 48305.88 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 11220.2 nM None
Homo sapiens HCC 2998 GI50 34914.03 nM None
Homo sapiens HCC 2998 GI50 43351.09 nM None
Homo sapiens HCT-116 GI50 58210.32 nM None
Homo sapiens HCT-116 GI50 106414.3 nM None
Homo sapiens HCT-15 GI50 91833.26 nM None
Homo sapiens HCT-15 GI50 207014.13 nM None
Homo sapiens High-affinity choline transporter IC50 514.53 nM None
Homo sapiens High-affinity choline transporter IC50 587.72 nM None
Homo sapiens HL-60 GI50 22908.68 nM None
Homo sapiens HL-60 GI50 104472.02 nM None
Homo sapiens HOP-18 GI50 107398.94 nM None
Homo sapiens HOP-62 GI50 61944.11 nM None
Homo sapiens HOP-62 GI50 70469.31 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 216770.41 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens HT-29 GI50 288403.15 nM None
Homo sapiens Huntingtin Potency 1258.9 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 2511.9 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 449779.85 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens K562 GI50 361409.86 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens KM12 GI50 352370.87 nM None
Homo sapiens KM-20L2 GI50 234422.88 nM None
Homo sapiens LOX IMVI GI50 44157.04 nM None
Homo sapiens LOX IMVI GI50 84333.48 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens M19-MEL GI50 333426.41 nM None
Homo sapiens Malme-3M GI50 274157.42 nM None
Homo sapiens MAP kinase ERK2 Potency 12589.3 nM None
Homo sapiens MAP kinase ERK2 Potency 39810.7 nM None
Homo sapiens MCF7 GI50 30408.85 nM None
Homo sapiens MCF7 GI50 65162.84 nM None
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 11220.2 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens MOLT-4 GI50 200909.28 nM None
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 117219.54 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 213304.49 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 227509.74 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 304088.5 nM None
Homo sapiens NCI-H460 GI50 22284.35 nM None
Homo sapiens NCI-H522 GI50 58210.32 nM None
Homo sapiens NCI-H522 GI50 137404.2 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-3 GI50 418793.57 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 449779.85 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 257039.58 nM None
Homo sapiens OVCAR-8 GI50 32885.16 nM None
Homo sapiens OVCAR-8 GI50 79250.13 nM None
Homo sapiens PC-3 GI50 31045.6 nM None
Homo sapiens Prelamin-A/C Potency 3981.1 nM None
Homo sapiens Prelamin-A/C Potency 22387.2 nM None
Homo sapiens Relaxin receptor 1 Potency 1736.6 nM None
Homo sapiens Relaxin receptor 1 Potency 14125.4 nM None
Homo sapiens Relaxin receptor 2 Potency 7757.0 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens RPMI-8226 GI50 305492.11 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 104231.74 nM None
Homo sapiens SF-268 GI50 231739.46 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 214783.05 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SF-539 GI50 178648.76 nM None
Homo sapiens SK-MEL-2 GI50 97051.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 312607.94 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 449779.85 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 295801.25 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SN12C GI50 136458.31 nM None
Homo sapiens SN12K1 GI50 73960.53 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 235504.93 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 117489.76 nM None
Homo sapiens SNB-78 GI50 449779.85 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens SW-620 GI50 153108.75 nM None
Homo sapiens T47D GI50 77268.06 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 920.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1299.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1636.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens U-251 GI50 273526.87 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 449779.85 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 247172.41 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Homo sapiens UO-31 GI50 376703.8 nM None
Homo sapiens Vasopressin V1b receptor Potency 9765.4 nM None
Homo sapiens XF498 GI50 449779.85 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 12589.3 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 14125.4 nM None
Mus musculus P388 GI50 16405.9 nM None
Mus musculus P388/ADR GI50 14521.12 nM None
Photinus pyralis Luciferin 4-monooxygenase EC50 112219.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 14715.7 nM None
None NON-PROTEIN TARGET Potency 1.2 nM None
None NON-PROTEIN TARGET Potency 118.8 nM None
None NON-PROTEIN TARGET Potency 1677.4 nM None
None NON-PROTEIN TARGET Potency 16776.8 nM None
None Unchecked EC50 1553.0 nM None
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 22387.2 nM None

Metabolism Information