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Ligand

NameCHEMBL3104629
Molecular formulaC29H31F3N4O3
IUPAC name1-[2-[1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight540.587
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50445194
Inchi KeyBBVFTRZTZQZVJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31F3N4O3/c1-38-19-18-35-16-14-28(15-17-35)20-36(25-8-4-2-6-23(25)28)26-9-5-3-7-24(26)34-27(37)33-21-10-12-22(13-11-21)39-29(30,31)32/h2-13H,14-20H2,1H3,(H2,33,34,37)
PubChem CID11533956
ChEMBLCHEMBL3104629
IUPHARN/A
BindingDB50445194
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
19867P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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