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Ligand

NameCHEMBL3144305
Molecular formulaC11H17N5O14P4
IUPAC nameN-methyl-9-[(1S,12R,14R)-3,5,7,9-tetrahydroxy-3,5,7,9-tetraoxo-2,4,6,8,10,13-hexaoxa-3lambda5,5lambda5,7lambda5,9lambda5-tetraphosphabicyclo[10.3.0]pentadecan-14-yl]purin-6-amine
Molecular weight567.173
Hydrogen bond acceptor18
Hydrogen bond donor5
XlogP-4.2
SynonymsN/A
Inchi KeyBOKCRJWEZVNVFV-XLPZGREQSA-N
Inchi IDInChI=1S/C11H17N5O14P4/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6-7(26-8)3-25-31(17,18)28-33(21,22)30-34(23,24)29-32(19,20)27-6/h4-8H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,12,13,14)/t6-,7+,8+/m0/s1
PubChem CID10603065
ChEMBLCHEMBL3144305
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28869P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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