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Ligand

NameCHEMBL3287047
Molecular formulaC31H35F3N4O3
IUPAC name1-[2-[1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight568.641
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP7.1
SynonymsSCHEMBL15562248
BDBM50017021
Inchi KeyAAYPGQDBDMWPLH-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35F3N4O3/c1-29(2,3)19-37-17-15-30(16-18-37)20-38(27-23(30)7-6-10-26(27)39)25-9-5-4-8-24(25)36-28(40)35-21-11-13-22(14-12-21)41-31(32,33)34/h4-14,39H,15-20H2,1-3H3,(H2,35,36,40)
PubChem CID73052662
ChEMBLCHEMBL3287047
IUPHARN/A
BindingDB50017021
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
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GLASS IDNameUniProtGeneSpeciesLength
636P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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