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Ligand

NameCHEMBL3104771
Molecular formulaC26H35N3O3
IUPAC name2-(3,5-dimethylphenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
Molecular weight437.584
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50445813
Inchi KeyBKDQVYDRBXSHIN-QHCPKHFHSA-N
Inchi IDInChI=1S/C26H35N3O3/c1-19-16-20(2)18-22(17-19)26(3,4)25(31)28-23(21-8-6-5-7-9-21)24(30)27-10-11-29-12-14-32-15-13-29/h5-9,16-18,23H,10-15H2,1-4H3,(H,27,30)(H,28,31)/t23-/m0/s1
PubChem CID73212588
ChEMBLCHEMBL3104771
IUPHARN/A
BindingDB50445813
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25702Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
25703Substance-P receptorP25103TACR1Homo sapiens (Human)407

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