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Ligand

NameCHEMBL3263067
Molecular formulaC36H42F3N5OS
IUPAC name1-[2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-7-ol
Molecular weight649.821
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP9.9
SynonymsBDBM50015287
SCHEMBL15606146
Inchi KeyBHFWFSACFRIJPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H42F3N5OS/c1-33(2,3)21-43-19-17-35(18-20-43)22-44(30-28(45)16-15-25(29(30)35)36(37,38)39)27-10-8-7-9-26(27)40-32-42-41-31(46-32)23-11-13-24(14-12-23)34(4,5)6/h7-16,45H,17-22H2,1-6H3,(H,40,42)
PubChem CID73053120
ChEMBLCHEMBL3263067
IUPHARN/A
BindingDB50015287
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
23708P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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