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Ligand

NameCHEMBL460630
Molecular formulaC28H37N3O3
IUPAC nameN-[(1S)-3-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide
Molecular weight463.622
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
Synonyms(S)-N-(3-(4-(2-(4-methoxyphenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
SCHEMBL5862111
BDBM50276448
N-[(1S)-3-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1-piperidyl]-1-phenyl-propyl]cyclobutanecarboxamide
Inchi KeyASIKSLWAHFCDDC-SANMLTNESA-N
Inchi IDInChI=1S/C28H37N3O3/c1-34-25-12-10-21(11-13-25)20-27(32)29-24-14-17-31(18-15-24)19-16-26(22-6-3-2-4-7-22)30-28(33)23-8-5-9-23/h2-4,6-7,10-13,23-24,26H,5,8-9,14-20H2,1H3,(H,29,32)(H,30,33)/t26-/m0/s1
PubChem CID44590584
ChEMBLCHEMBL460630
IUPHARN/A
BindingDB50276448
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
13190C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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