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Ligand

NameCHEMBL249277
Molecular formulaC33H44ClN7O2
IUPAC name(3R)-N-[(2S)-3-(4-chlorophenyl)-1-[4-hexyl-4-[(1-methyltetrazol-5-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight606.212
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50220700
(R)-N-((S)-3-(4-chlorophenyl)-1-(4-hexyl-4-((1-methyl-1H-tetrazol-5-yl)methyl)piperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Inchi KeyAZJWJBAXGKDQCY-WDYNHAJCSA-N
Inchi IDInChI=1S/C33H44ClN7O2/c1-3-4-5-8-15-33(22-30-37-38-39-40(30)2)16-18-41(19-17-33)32(43)29(20-24-11-13-27(34)14-12-24)36-31(42)28-21-25-9-6-7-10-26(25)23-35-28/h6-7,9-14,28-29,35H,3-5,8,15-23H2,1-2H3,(H,36,42)/t28-,29+/m1/s1
PubChem CID44441645
ChEMBLCHEMBL249277
IUPHARN/A
BindingDB50220700
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
18245Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
18244Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
18246Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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