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Ligand

NameCHEMBL1083863
Molecular formulaC38H51N3O3S
IUPAC name6-methyl-N-[1-[[(2S)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight629.904
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP8.0
SynonymsBDBM50415949
Inchi KeyHHBVHKORFWGJEX-XIFFEERXSA-N
Inchi IDInChI=1S/C38H51N3O3S/c1-28-12-13-32-26-35(45-34(32)24-28)36(42)40-38(18-5-6-19-38)37(43)39-33(25-30-8-3-2-4-9-30)11-7-10-29-14-20-41(21-15-29)27-31-16-22-44-23-17-31/h2-4,8-9,12-13,24,26,29,31,33H,5-7,10-11,14-23,25,27H2,1H3,(H,39,43)(H,40,42)/t33-/m0/s1
PubChem CID46236920
ChEMBLCHEMBL1083863
IUPHARN/A
BindingDB50415949
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
114794Substance-K receptorP21452TACR2Homo sapiens (Human)398
114795Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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