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Ligand

NameCHEMBL297883
Molecular formulaC31H33N3O
IUPAC name[(2S,4R)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
Molecular weight463.625
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50287417
{(2S,4R)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone
Inchi KeyWQZUOBIIPDZRJP-IZLXSDGUSA-N
Inchi IDInChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m1/s1
PubChem CID44289169
ChEMBLCHEMBL297883
IUPHARN/A
BindingDB50287417
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
380169Substance-K receptorP05363TACR2Bos taurus (Bovine)384
380168Substance-P receptorP25103TACR1Homo sapiens (Human)407

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