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Ligand

NameCHEMBL179891
Molecular formulaC29H41N3O4
IUPAC name2-methyl-N-[(2S)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-propan-2-ylphenoxy)propanamide
Molecular weight495.664
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50159896
2-(4-Isopropyl-phenoxy)-2-methyl-N-[(S)-1-(3-morpholin-4-yl-propylcarbamoyl)-2-phenyl-ethyl]-propionamide
Inchi KeyAVIXBFZEMMRRMZ-SANMLTNESA-N
Inchi IDInChI=1S/C29H41N3O4/c1-22(2)24-11-13-25(14-12-24)36-29(3,4)28(34)31-26(21-23-9-6-5-7-10-23)27(33)30-15-8-16-32-17-19-35-20-18-32/h5-7,9-14,22,26H,8,15-21H2,1-4H3,(H,30,33)(H,31,34)/t26-/m0/s1
PubChem CID44391043
ChEMBLCHEMBL179891
IUPHARN/A
BindingDB50159896
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
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GLASS IDNameUniProtGeneSpeciesLength
15334Substance-K receptorP21452TACR2Homo sapiens (Human)398

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