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Ligand

NameCHEMBL2031494
Molecular formulaC29H27N3O3
IUPAC nameN-[[(2S,4R)-4-hydroxy-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
Molecular weight465.553
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50384431
Inchi KeyAJFSMUYBHCAWKT-XZOQPEGZSA-N
Inchi IDInChI=1S/C29H27N3O3/c33-23-15-17-32(29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20)22(18-23)19-31-28(34)26-14-6-10-21-11-7-16-30-27(21)26/h1-14,16,22-23,33H,15,17-19H2,(H,31,34)/t22-,23+/m0/s1
PubChem CID70685889
ChEMBLCHEMBL2031494
IUPHARN/A
BindingDB50384431
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
6873Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
6874Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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