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Ligand

NameCHEMBL2113679
Molecular formulaC27H27N3O2
IUPAC name3-(2-aminoethoxy)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Molecular weight425.532
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50408861
SCHEMBL6208903
ABPUPHVEUMCNPO-QFIPXVFZSA-N
(S)-N-(alpha-ethylbenzyl)-3-(2-aminoethoxy)-2-phenylquinoline-4-carboxamide
Inchi KeyABPUPHVEUMCNPO-QFIPXVFZSA-N
Inchi IDInChI=1S/C27H27N3O2/c1-2-22(19-11-5-3-6-12-19)30-27(31)24-21-15-9-10-16-23(21)29-25(26(24)32-18-17-28)20-13-7-4-8-14-20/h3-16,22H,2,17-18,28H2,1H3,(H,30,31)/t22-/m0/s1
PubChem CID10764865
ChEMBLCHEMBL2113679
IUPHARN/A
BindingDB50408861
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
1068Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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