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Ligand

NameCHEMBL237097
Molecular formulaC36H50N4O3S
IUPAC nameN-[1-[[(2R)-1-[3-(dibutylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
Molecular weight618.881
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP7.7
SynonymsBDBM50002940
Inchi KeyFHBFYBOSRIQZHG-SSEXGKCCSA-N
Inchi IDInChI=1S/C36H50N4O3S/c1-3-5-23-40(24-6-4-2)25-15-22-37-33(41)30(26-28-16-9-7-10-17-28)38-35(43)36(20-13-8-14-21-36)39-34(42)32-27-29-18-11-12-19-31(29)44-32/h7,9-12,16-19,27,30H,3-6,8,13-15,20-26H2,1-2H3,(H,37,41)(H,38,43)(H,39,42)/t30-/m1/s1
PubChem CID10121831
ChEMBLCHEMBL237097
IUPHARN/A
BindingDB50002940
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
78269Substance-K receptorP21452TACR2Homo sapiens (Human)398
78270Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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