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Ligand

NameCHEMBL400252
Molecular formulaC32H42ClN7O2
IUPAC name(3R)-N-[(2S)-3-(4-chlorophenyl)-1-[4-(2,2-dimethylpropyl)-4-[(1-methyltetrazol-5-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight592.185
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50220696
(R)-N-((S)-3-(4-chlorophenyl)-1-(4-((1-methyl-1H-tetrazol-5-yl)methyl)-4-neopentylpiperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Inchi KeyBPBFRWGCYGZAPG-SXOMAYOGSA-N
Inchi IDInChI=1S/C32H42ClN7O2/c1-31(2,3)21-32(19-28-36-37-38-39(28)4)13-15-40(16-14-32)30(42)27(17-22-9-11-25(33)12-10-22)35-29(41)26-18-23-7-5-6-8-24(23)20-34-26/h5-12,26-27,34H,13-21H2,1-4H3,(H,35,41)/t26-,27+/m1/s1
PubChem CID44441643
ChEMBLCHEMBL400252
IUPHARN/A
BindingDB50220696
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
29379Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
29377Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
29378Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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