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Ligand

NameCHEMBL133387
Molecular formulaC20H20ClIN6O3
IUPAC name4-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight554.773
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.0
Synonyms4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide
BDBM50106537
MRS-1898
SCHEMBL12264931
Inchi KeyAGCJNWSEWOWGRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)
PubChem CID44354130
ChEMBLCHEMBL133387
IUPHARN/A
BindingDB50106537
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
441892Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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