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Ligand

NameCHEMBL177386
Molecular formulaC19H19Cl2N9O
IUPAC name5-N-[[(2R)-1-[(3,5-dichloropyridin-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Molecular weight460.323
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50152218
N*5*-[(R)-1-(3,5-Dichloro-pyridin-4-ylmethyl)-pyrrolidin-2-ylmethyl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Inchi KeyAOKIATHOELUTRB-LLVKDONJSA-N
Inchi IDInChI=1S/C19H19Cl2N9O/c20-13-8-23-9-14(21)12(13)10-29-5-1-3-11(29)7-24-18-26-17(22)30-19(27-18)25-16(28-30)15-4-2-6-31-15/h2,4,6,8-9,11H,1,3,5,7,10H2,(H3,22,24,25,26,27,28)/t11-/m1/s1
PubChem CID11155402
ChEMBLCHEMBL177386
IUPHARN/A
BindingDB50152218
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10309Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
10308Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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