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Ligand

NameCHEMBL1682673
Molecular formulaC31H35Cl2N3O3S
IUPAC name(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-2-[[4-(methanesulfonamido)-4-phenylpiperidin-1-yl]methyl]-N-methylcyclopropane-1-carboxamide
Molecular weight600.599
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50337408
SCHEMBL2477209
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-(methylsulfonamido)-4-phenylpiperidin-1-yl)methyl)cyclopropanecarboxamide
Inchi KeyBKYRIMQMIWLUBG-SUYBVONHSA-N
Inchi IDInChI=1S/C31H35Cl2N3O3S/c1-35(21-23-9-5-3-6-10-23)29(37)31(25-13-14-27(32)28(33)19-25)20-26(31)22-36-17-15-30(16-18-36,34-40(2,38)39)24-11-7-4-8-12-24/h3-14,19,26,34H,15-18,20-22H2,1-2H3/t26-,31+/m0/s1
PubChem CID53317093
ChEMBLCHEMBL1682673
IUPHARN/A
BindingDB50337408
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
26279Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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