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Ligand

NameCHEMBL1083853
Molecular formulaC35H46N4O3S
IUPAC name6-methyl-N-[1-[[(2R)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylbutan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight602.838
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.0
SynonymsBDBM50415965
Inchi KeyJSQUFUABHMZJIE-LJAQVGFWSA-N
Inchi IDInChI=1S/C35H46N4O3S/c1-26-9-10-28-25-32(43-31(28)23-26)33(40)37-35(14-5-6-15-35)34(41)36-29(24-27-7-3-2-4-8-27)11-16-38-17-12-30(13-18-38)39-19-21-42-22-20-39/h2-4,7-10,23,25,29-30H,5-6,11-22,24H2,1H3,(H,36,41)(H,37,40)/t29-/m0/s1
PubChem CID46889639
ChEMBLCHEMBL1083853
IUPHARN/A
BindingDB50415965
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
158990Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
158991Substance-K receptorP21452TACR2Homo sapiens (Human)398

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