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Ligand

NameAC1LA24O
Molecular formulaC35H44N4O
IUPAC name[(3S,4S)-3-[[4-[benzyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-cyclohexylmethanone
Molecular weight536.764
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.8
SynonymsCHEMBL336703
[(3S,4S)-3-[[4-[benzyl(2-pyridyl)amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-methanone
Cyclohexyl[(3S)-3alpha-[4-[benzyl(2-pyridyl)amino]piperidinomethyl]-4beta-phenylpyrrolizino] ketone
[(3S,4S)-3-[[4-[benzyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-cyclohexylmethanone
Pyrrolidine, 1-(cyclohexylcarbonyl)-3-phenyl-4-[[4-[(phenylmethyl)-2-pyridinylamino]-1-piperidinyl]methyl]-, (3S,4S)-
Inchi KeyACMSANXIVMQTEW-CQTOTRCISA-N
Inchi IDInChI=1S/C35H44N4O/c40-35(30-16-8-3-9-17-30)38-26-31(33(27-38)29-14-6-2-7-15-29)25-37-22-19-32(20-23-37)39(34-18-10-11-21-36-34)24-28-12-4-1-5-13-28/h1-2,4-7,10-15,18,21,30-33H,3,8-9,16-17,19-20,22-27H2/t31-,33+/m0/s1
PubChem CID505872
ChEMBLCHEMBL336703
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
1705C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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