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Ligand

NameCHEMBL1083868
Molecular formulaC35H42N6O2S
IUPAC name6-methyl-N-[1-[[(2S)-1-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight610.821
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50415944
Inchi KeyHYALMZIBFASEJD-LJAQVGFWSA-N
Inchi IDInChI=1S/C35H42N6O2S/c1-26-12-13-28-25-31(44-30(28)23-26)32(42)39-35(14-5-6-15-35)33(43)38-29(24-27-9-3-2-4-10-27)11-7-18-40-19-21-41(22-20-40)34-36-16-8-17-37-34/h2-4,8-10,12-13,16-17,23,25,29H,5-7,11,14-15,18-22,24H2,1H3,(H,38,43)(H,39,42)/t29-/m0/s1
PubChem CID46237169
ChEMBLCHEMBL1083868
IUPHARN/A
BindingDB50415944
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
126874Substance-K receptorP21452TACR2Homo sapiens (Human)398
126875Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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