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Ligand

NameCHEMBL3719217
Molecular formulaC28H22F3N5O5S2
IUPAC name4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)benzamide
Molecular weight629.629
Hydrogen bond acceptor13
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM176014
SCHEMBL15349257
US9688695, 47
Inchi KeyBPKFYXPNQKOHIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H22F3N5O5S2/c1-14-20(33-25(42-14)16-6-4-15(5-7-16)24(37)32-13-28(29,30)31)12-40-21-8-17(38-2)9-22-18(21)10-23(41-22)19-11-36-26(34-19)43-27(35-36)39-3/h4-11H,12-13H2,1-3H3,(H,32,37)
PubChem CID72189344
ChEMBLCHEMBL3719217
IUPHARN/A
BindingDB176014
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
522440Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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