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Ligand

NameCHEMBL2113704
Molecular formulaC16H15IN6
IUPAC name4-[6-[(3-iodophenyl)methylamino]purin-9-yl]butanenitrile
Molecular weight418.242
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.7
SynonymsAPXSDGLADFOEDD-UHFFFAOYSA-N
BDBM50453677
N6 -(3-Iodobenzyl)-9-(3-Cyanopropyl)adenine
6-[(3-Iodobenzyl)amino]-9H-purine-9-butanenitrile
Inchi KeyAPXSDGLADFOEDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)
PubChem CID10024998
ChEMBLCHEMBL2113704
IUPHARN/A
BindingDB50453677
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11440Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
11439Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
11438Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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