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Ligand

NameCHEMBL1083864
Molecular formulaC37H49N3O4S
IUPAC name6-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methoxy]-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight631.876
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.6
SynonymsBDBM50415948
Inchi KeyGKBYIGLMXLDHBX-JGCGQSQUSA-N
Inchi IDInChI=1S/C37H49N3O4S/c1-27-9-10-31-23-34(45-33(31)21-27)35(41)39-37(15-5-6-16-37)36(42)38-32(22-28-7-3-2-4-8-28)26-44-25-30-11-17-40(18-12-30)24-29-13-19-43-20-14-29/h2-4,7-10,21,23,29-30,32H,5-6,11-20,22,24-26H2,1H3,(H,38,42)(H,39,41)/t32-/m1/s1
PubChem CID46237037
ChEMBLCHEMBL1083864
IUPHARN/A
BindingDB50415948
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
98470Substance-K receptorP21452TACR2Homo sapiens (Human)398
98471Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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