Molecule

Isoguanosine

AlkaPlorer ID: AK021211

Synonym: None

IUPAC Name: 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one

SMILES: NC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI: InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1

InChIKey: MIKUYHXYGGJMLM-UUOKFMHZSA-N

PubChem CID: 65085

CAS: 1818-71-9

LOTUS: LTS0081028

NPASS: NPC164665

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Croton tiglium	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 283.244

TPSA？: 159.76999999999998

MolLogP？: -2.2744000000000004

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus anthracis	Bacillus anthracis	IC50	nan	None	10.1128/aac.01029-10
Cavia porcellus	Adenosine A1 receptor	EC50	1148.15	nM	10.1021/jm00108a014
Homo sapiens	Adenosine A2 receptor	EC50	79.43	nM	10.1021/jm00108a014
Homo sapiens	Adenosine deaminase-like protein	Activity	nan	None	10.1021/jm200650j
Homo sapiens	Adenosine receptors; A1 & A2	Ratio	18.0	None	10.1021/jm00108a014
Mus musculus	J774.A1	Activity	nan	None	10.1128/aac.01029-10
Mus musculus	Mus musculus	ED50	100.0	mg.kg-1	10.1021/jm00140a007
Rattus norvegicus	Adenosine A1 receptor	Ki	94.0	nM	10.1016/S0960-894X(01)81110-0
Rattus norvegicus	Adenosine A1 receptor	Ki	94.0	nM	10.1021/jm00128a002
Rattus norvegicus	Adenosine A2 receptor	Ki	330.0	nM	10.1021/jm00128a002
Rattus norvegicus	Adenosine A2 receptor	Ki	331.0	nM	10.1016/S0960-894X(01)81110-0
Rattus norvegicus	Adenosine receptors; A1 & A2	Ratio	3.5	None	10.1016/S0960-894X(01)81110-0
Rattus norvegicus	Adenosine receptors; A1 & A2	Ratio	3.5	None	10.1021/jm00128a002
Rattus norvegicus	Rattus norvegicus	BP	nan	None	10.1021/jm00140a007
Rattus norvegicus	Rattus norvegicus	HR	nan	None	10.1021/jm00140a007
Rattus norvegicus	Rattus norvegicus	Inhibition	nan	%	10.1021/jm00140a007