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cordysinin B

AlkaPlorer ID: AK065819

Synonym: "2'-O-Me-A", 'cordysinin B', '(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-ol'

IUPAC Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol

Structure

SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21

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InChI: InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

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InChIKey: FPUGCISOLXNPPC-IOSLPCCCSA-N

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Properties Information

Molecule Weight: 281.27200000000005

TPSA？: 128.54000000000002

MolLogP？: -1.3258999999999994

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Hepatitis C virus Hepatitis C virus NS5B RNA-dependent RNA polymerase EC50 50000.0 nM 10.1021/jm030424e
Hepatitis C virus Hepatitis C virus NS5B RNA-dependent RNA polymerase IC50 47000.0 nM 10.1021/jm030424e
Homo sapiens Adenosine A1 receptor EC50 3000.0 nM 10.1016/j.bmc.2007.05.056
Homo sapiens Adenosine A1 receptor IC50 3000.0 nM 10.1016/j.bmc.2007.05.056
Homo sapiens Adenosine A3 receptor EC50 100000.0 nM 10.1016/j.bmc.2007.05.056
Homo sapiens Adenosine A3 receptor IC50 15.0 nM 10.1016/j.bmc.2007.05.056
Homo sapiens Adenosine A3 receptor Imax 100.0 % 10.1016/j.bmc.2007.05.056
Rattus norvegicus Adenosine A1 receptor Displacement 29.0 % 10.1021/jm00007a014
Rattus norvegicus Adenosine A2a receptor Displacement 49.0 % 10.1021/jm00007a014
Rattus norvegicus Adenosine A3 receptor Displacement 43.0 % 10.1021/jm00007a014

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011275 CO[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21>>CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21 enzymemap_56806