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Ligand

NameCHEMBL400456
Molecular formulaC31H40ClN7O2
IUPAC name(3R)-N-[(2S)-1-[4-butan-2-yl-4-[(1-methyltetrazol-5-yl)methyl]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight578.158
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50220689
(R)-N-((S)-1-(4-sec-butyl-4-((1-methyl-1H-tetrazol-5-yl)methyl)piperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Inchi KeyAWOJJPZZOHGJMY-FJFCPSMQSA-N
Inchi IDInChI=1S/C31H40ClN7O2/c1-4-21(2)31(19-28-35-36-37-38(28)3)13-15-39(16-14-31)30(41)27(17-22-9-11-25(32)12-10-22)34-29(40)26-18-23-7-5-6-8-24(23)20-33-26/h5-12,21,26-27,33H,4,13-20H2,1-3H3,(H,34,40)/t21?,26-,27+/m1/s1
PubChem CID44441644
ChEMBLCHEMBL400456
IUPHARN/A
BindingDB50220689
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16212Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
16213Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
16214Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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