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Ligand

NameCHEMBL1083855
Molecular formulaC37H50N4O3S
IUPAC name6-methyl-N-[1-[[(2R)-4-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-1-phenylbutan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight630.892
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.7
SynonymsBDBM50415956
Inchi KeyFRIBUZAMFTUFSB-PMERELPUSA-N
Inchi IDInChI=1S/C37H50N4O3S/c1-27-10-11-29-26-34(45-33(29)24-27)35(42)39-37(17-6-7-18-37)36(43)38-30(25-28-8-4-3-5-9-28)12-19-41-20-13-31(14-21-41)40(2)32-15-22-44-23-16-32/h3-5,8-11,24,26,30-32H,6-7,12-23,25H2,1-2H3,(H,38,43)(H,39,42)/t30-/m0/s1
PubChem CID46889640
ChEMBLCHEMBL1083855
IUPHARN/A
BindingDB50415956
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
85437Substance-K receptorP21452TACR2Homo sapiens (Human)398
85438Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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