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Ligand

NameCHEMBL1083876
Molecular formulaC35H44N6O2S
IUPAC nameN-[1-[[(2S)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide
Molecular weight612.837
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.6
SynonymsBDBM50415937
Inchi KeyJPQXHCVMHRKCDV-LJAQVGFWSA-N
Inchi IDInChI=1S/C35H44N6O2S/c1-26-11-12-28-22-32(44-31(28)20-26)33(42)39-35(13-5-6-14-35)34(43)38-29(21-27-8-3-2-4-9-27)10-7-15-40-16-18-41(19-17-40)24-30-23-36-25-37-30/h2-4,8-9,11-12,20,22-23,25,29H,5-7,10,13-19,21,24H2,1H3,(H,36,37)(H,38,43)(H,39,42)/t29-/m0/s1
PubChem CID46236392
ChEMBLCHEMBL1083876
IUPHARN/A
BindingDB50415937
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
156775Substance-K receptorP21452TACR2Homo sapiens (Human)398
156776Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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