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Ligand

NameCHEMBL394419
Molecular formulaC35H38N4O4S
IUPAC nameN-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2,3-dihydroinden-1-yl]-1-benzothiophene-2-carboxamide
Molecular weight610.773
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.2
SynonymsBDBM50003001
Inchi KeyGXIZWYDJPVSHBX-ZMLFZXNESA-N
Inchi IDInChI=1S/C35H38N4O4S/c40-32(36-17-8-18-39-19-21-43-22-20-39)29(23-25-9-2-1-3-10-25)37-34(42)35(16-15-26-11-4-6-13-28(26)35)38-33(41)31-24-27-12-5-7-14-30(27)44-31/h1-7,9-14,24,29H,8,15-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1
PubChem CID44434197
ChEMBLCHEMBL394419
IUPHARN/A
BindingDB50003001
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
107675Substance-K receptorP21452TACR2Homo sapiens (Human)398
107676Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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