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Ligand

NameCHEMBL45278
Molecular formulaC29H34N2O3
IUPAC name[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-2-methyl-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
Molecular weight458.602
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50050668
[(R)-1-Methyl-2-phenyl-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester
Inchi KeyBDGXZMAYXTZKCG-ALYLKEMTSA-N
Inchi IDInChI=1S/C29H34N2O3/c1-21(2)26(25-18-12-7-13-19-25)34-28(33)31-29(4,20-23-14-8-5-9-15-23)27(32)30-22(3)24-16-10-6-11-17-24/h5-19,21-22,26H,20H2,1-4H3,(H,30,32)(H,31,33)/t22-,26-,29+/m0/s1
PubChem CID10575877
ChEMBLCHEMBL45278
IUPHARN/A
BindingDB50050668
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20917Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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