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Ligand

NameCHEMBL3930814
Molecular formulaC35H50F3N5O2
IUPAC name1-[2-[1'-(2,2-dimethylpropyl)-7-hydroxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]urea
Molecular weight629.813
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP7.5
SynonymsSCHEMBL16782843
BDBM245286
US9428504, 24
Inchi KeyAFKNLTZNIZLJLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H50F3N5O2/c1-32(2,3)21-41-17-13-24(14-18-41)39-31(45)40-26-9-7-8-10-27(26)43-23-34(15-19-42(20-16-34)22-33(4,5)6)29-25(35(36,37)38)11-12-28(44)30(29)43/h7-12,24,44H,13-23H2,1-6H3,(H2,39,40,45)
PubChem CID118130657
ChEMBLCHEMBL3930814
IUPHARN/A
BindingDB245286
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
533924P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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