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Ligand

NameCHEMBL1083849
Molecular formulaC36H48N4O3S
IUPAC nameN-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight616.865
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50415960
Inchi KeyIFLAJVCAIZJOPG-HKBQPEDESA-N
Inchi IDInChI=1S/C36H48N4O3S/c41-34(33-26-30-11-4-5-13-32(30)44-33)38-36(16-6-7-17-36)35(42)37-31(25-28-9-2-1-3-10-28)12-8-18-39-19-21-40(22-20-39)27-29-14-23-43-24-15-29/h1-5,9-11,13,26,29,31H,6-8,12,14-25,27H2,(H,37,42)(H,38,41)/t31-/m0/s1
PubChem CID46236387
ChEMBLCHEMBL1083849
IUPHARN/A
BindingDB50415960
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
131971Substance-K receptorP21452TACR2Homo sapiens (Human)398
131972Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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