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Ligand

NameCHEMBL295425
Molecular formulaC31H25F6N3O3
IUPAC nameN-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
Molecular weight601.549
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50287416
2-Hydroxy-quinoline-4-carboxylic acid [(2R,4S)-2-benzyl-1-(3,5-bis-trifluoromethyl-benzoyl)-piperidin-4-yl]-amide
Inchi KeyXUVYYIIVCVDGFW-XZOQPEGZSA-N
Inchi IDInChI=1S/C31H25F6N3O3/c32-30(33,34)20-13-19(14-21(15-20)31(35,36)37)29(43)40-11-10-22(16-23(40)12-18-6-2-1-3-7-18)38-28(42)25-17-27(41)39-26-9-5-4-8-24(25)26/h1-9,13-15,17,22-23H,10-12,16H2,(H,38,42)(H,39,41)/t22-,23+/m0/s1
PubChem CID44289197
ChEMBLCHEMBL295425
IUPHARN/A
BindingDB50287416
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
401503Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
401501Substance-K receptorP05363TACR2Bos taurus (Bovine)384
401502Substance-P receptorP25103TACR1Homo sapiens (Human)407

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