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Ligand

NameSCHEMBL15596998
Molecular formulaC33H32F4N4O3
IUPAC name1-[2-[4-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight608.638
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP7.5
SynonymsUS9540323, 249
Inchi KeyBXIZFOUCDDLCEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H32F4N4O3/c1-32(2)19-41(30-27(42)17-24(34)28(29(30)32)21-9-7-8-20(16-21)18-40(3)4)26-11-6-5-10-25(26)39-31(43)38-22-12-14-23(15-13-22)44-33(35,36)37/h5-17,42H,18-19H2,1-4H3,(H2,38,39,43)
PubChem CID90063004
ChEMBLN/A
IUPHARN/A
BindingDB261028
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536894P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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