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Ligand

NameCHEMBL3394262
Molecular formulaC40H48N14O6
IUPAC name4-[2-[3-[[4-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one;formic acid
Molecular weight820.916
Hydrogen bond acceptor18
Hydrogen bond donor5
XlogPNone
SynonymsBDBM50059848
Inchi KeyAAPKSMKRZNHCHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H46N14O4.CH2O2/c1-2-17-51(19-14-27-6-3-7-30-29(27)25-32(54)43-30)18-5-15-41-36-46-37(52-20-23-55-24-21-52)49-39(48-36)57-28-11-9-26(10-12-28)13-16-42-35-45-34(40)53-38(47-35)44-33(50-53)31-8-4-22-56-31;2-1-3/h3-4,6-12,22H,2,5,13-21,23-25H2,1H3,(H,43,54)(H,41,46,48,49)(H3,40,42,44,45,47,50);1H,(H,2,3)
PubChem CID118726006
ChEMBLCHEMBL3394262
IUPHARN/A
BindingDB50059848
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441688Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441687D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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