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Ligand

NameCHEMBL248700
Molecular formulaC27H31ClN4O2
IUPAC name(3R)-N-[(2S)-3-(4-chlorophenyl)-1-[4-(cyanomethyl)-4-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight479.021
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50220709
(R)-N-((S)-3-(4-chlorophenyl)-1-(4-(cyanomethyl)-4-methylpiperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Inchi KeyANKLLTJQGBUBDD-RPWUZVMVSA-N
Inchi IDInChI=1S/C27H31ClN4O2/c1-27(10-13-29)11-14-32(15-12-27)26(34)24(16-19-6-8-22(28)9-7-19)31-25(33)23-17-20-4-2-3-5-21(20)18-30-23/h2-9,23-24,30H,10-12,14-18H2,1H3,(H,31,33)/t23-,24+/m1/s1
PubChem CID44441634
ChEMBLCHEMBL248700
IUPHARN/A
BindingDB50220709
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442083Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
9642Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
442084Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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