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Ligand

NameCHEMBL3104636
Molecular formulaC31H35F3N4O2
IUPAC name1-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight552.642
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP7.4
SynonymsBDBM50445214
Inchi KeyFDCUCZZKNTVJSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35F3N4O2/c1-29(2,3)20-37-18-16-30(17-19-37)21-38(26-10-6-4-8-24(26)30)27-11-7-5-9-25(27)36-28(39)35-22-12-14-23(15-13-22)40-31(32,33)34/h4-15H,16-21H2,1-3H3,(H2,35,36,39)
PubChem CID53350233
ChEMBLCHEMBL3104636
IUPHARN/A
BindingDB50445214
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
75473P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
75472P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
75474P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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