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Ligand

NameCHEMBL1083852
Molecular formulaC37H50N4O3S
IUPAC name6-methyl-N-[1-[[(2S)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight630.892
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.5
SynonymsBDBM50415958
Inchi KeyKPWDQHNHIVGGNN-YTTGMZPUSA-N
Inchi IDInChI=1S/C37H50N4O3S/c1-28-11-12-31-26-34(45-33(31)24-28)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-13-30(14-19-40)27-41-20-22-44-23-21-41/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/m0/s1
PubChem CID46237296
ChEMBLCHEMBL1083852
IUPHARN/A
BindingDB50415958
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
175190Substance-K receptorP21452TACR2Homo sapiens (Human)398
175191Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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