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Ligand

NameCHEMBL1214531
Molecular formulaC32H33F3N2O6S
IUPAC name1,1,1-trifluoro-N-[3-[[(3S,4R)-4-(hydroxymethyl)-2,2-dimethyl-6-[(7-methylquinolin-2-yl)methoxy]-3,4-dihydrochromen-3-yl]methyl]-4-methoxyphenyl]methanesulfonamide
Molecular weight630.679
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP6.1
Synonyms1,1,1-trifluoro-N-(3-(((3S,4R)-4-(hydroxymethyl)-2,2-dimethyl-7-((6-methylquinolin-2-yl)methoxy)chroman-3-yl)methyl)-4-methoxyphenyl)methanesulfonamide
BDBM50323898
Inchi KeyCVDSOAXGLZLWEL-SVBPBHIXSA-N
Inchi IDInChI=1S/C32H33F3N2O6S/c1-19-5-6-20-7-8-23(36-28(20)13-19)18-42-24-10-12-30-25(16-24)26(17-38)27(31(2,3)43-30)15-21-14-22(9-11-29(21)41-4)37-44(39,40)32(33,34)35/h5-14,16,26-27,37-38H,15,17-18H2,1-4H3/t26-,27-/m0/s1
PubChem CID49863922
ChEMBLCHEMBL1214531
IUPHARN/A
BindingDB50323898
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
51383Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337

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