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Ligand

NameCHEMBL3092622
Molecular formulaC28H24F3N5O3
IUPAC name1-[2-[[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight535.527
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50444473
Inchi KeyAAIWAZWDQMGABY-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H24F3N5O3/c29-28(30,31)39-22-11-9-20(10-12-22)34-27(37)35-24-7-4-15-33-26(24)38-25-8-3-5-19-17-36(16-13-23(19)25)18-21-6-1-2-14-32-21/h1-12,14-15H,13,16-18H2,(H2,34,35,37)
PubChem CID72725521
ChEMBLCHEMBL3092622
IUPHARN/A
BindingDB50444473
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
239P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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