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Ligand

NameCHEMBL3092630
Molecular formulaC22H19F3N4O3
IUPAC name1-[2-[(2-methyl-1,3-dihydroisoindol-4-yl)oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight444.414
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50444467
Inchi KeyADXUNEPQWWLDEC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19F3N4O3/c1-29-12-14-4-2-6-19(17(14)13-29)31-20-18(5-3-11-26-20)28-21(30)27-15-7-9-16(10-8-15)32-22(23,24)25/h2-11H,12-13H2,1H3,(H2,27,28,30)
PubChem CID72725639
ChEMBLCHEMBL3092630
IUPHARN/A
BindingDB50444467
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
3211P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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