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Ligand

NameCHEMBL223321
Molecular formulaC23H27ClF3N11O
IUPAC name5-N-[[(7R,9aR)-2-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Molecular weight565.99
Hydrogen bond acceptor13
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50156639
(7RS,9aSR)-2-furan-2-yl-N5-(2-pyrimidin-2-yloctahydropyrido[1,2-a]pyrazin-7-ylmethyl)[1,2,4]triazolo[1,5-a]-[1,3,5]triazine-5,7-diamine
Inchi KeyANYPNSMNRSQVDF-ZIAGYGMSSA-N
Inchi IDInChI=1S/C23H27ClF3N11O/c1-35-18(24)15(17(33-35)23(25,26)27)12-36-6-7-37-10-13(4-5-14(37)11-36)9-29-21-31-20(28)38-22(32-21)30-19(34-38)16-3-2-8-39-16/h2-3,8,13-14H,4-7,9-12H2,1H3,(H3,28,29,30,31,32,34)/t13-,14-/m1/s1
PubChem CID44421281
ChEMBLCHEMBL223321
IUPHARN/A
BindingDB50156639
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10015Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
10016Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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