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Ligand

NameCHEMBL181998
Molecular formulaC25H34N4O3
IUPAC name(2S)-2-[[benzyl(methyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
Molecular weight438.572
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50159825
(S)-2-(3-Benzyl-3-methyl-ureido)-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide
Inchi KeyALXVTDNMLPAWDU-QHCPKHFHSA-N
Inchi IDInChI=1S/C25H34N4O3/c1-28(20-22-11-6-3-7-12-22)25(31)27-23(19-21-9-4-2-5-10-21)24(30)26-13-8-14-29-15-17-32-18-16-29/h2-7,9-12,23H,8,13-20H2,1H3,(H,26,30)(H,27,31)/t23-/m0/s1
PubChem CID44390994
ChEMBLCHEMBL181998
IUPHARN/A
BindingDB50159825
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8653Substance-K receptorP21452TACR2Homo sapiens (Human)398

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