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Ligand

NameMLS003130156
Molecular formulaC30H34F3N3O5S
IUPAC name1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
Molecular weight605.673
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.2
SynonymsCHEMBL1863969
BRD-K59902239-001-02-1
SMR001834602
Inchi KeyADAXDGSKYRGXEL-BUEREQSYSA-N
Inchi IDInChI=1S/C30H34F3N3O5S/c1-19-7-5-6-8-25(19)22-9-14-28-26(15-22)41-27(20(2)16-36(21(3)18-37)42(28,39)40)17-35(4)29(38)34-24-12-10-23(11-13-24)30(31,32)33/h5-15,20-21,27,37H,16-18H2,1-4H3,(H,34,38)/t20-,21+,27+/m1/s1
PubChem CID46903554
ChEMBLCHEMBL1863969
IUPHARN/A
BindingDBN/A
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
2096Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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