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Ligand

NameCHEMBL3944036
Molecular formulaC31H33F5N4O2
IUPAC name1-(2,4-difluorophenyl)-3-[2-[1'-(2,2-dimethylpropyl)-7-hydroxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight588.623
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP7.0
SynonymsBDBM245282
SCHEMBL16782841
US9428504, 20
Inchi KeyBREQTHLBKKCSSY-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33F5N4O2/c1-29(2,3)17-39-14-12-30(13-15-39)18-40(27-25(41)11-9-20(26(27)30)31(34,35)36)24-7-5-4-6-23(24)38-28(42)37-22-10-8-19(32)16-21(22)33/h4-11,16,41H,12-15,17-18H2,1-3H3,(H2,37,38,42)
PubChem CID73053127
ChEMBLCHEMBL3944036
IUPHARN/A
BindingDB245282
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
534027P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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