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Ligand

NameCHEMBL49921
Molecular formulaC28H39N3O3
IUPAC name1-(3-acetylphenyl)-3-[3-[(2R,4S)-4-benzyl-2-[(1S)-1-hydroxybutyl]piperidin-1-yl]propyl]urea
Molecular weight465.638
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.4
Synonyms1-(3-Acetyl-phenyl)-3-{3-[(2R,4S)-4-benzyl-2-((S)-1-hydroxy-butyl)-piperidin-1-yl]-propyl}-urea
BDBM50115084
Inchi KeyARPXRILPIHWQDL-MVNQZMKCSA-N
Inchi IDInChI=1S/C28H39N3O3/c1-3-9-27(33)26-19-23(18-22-10-5-4-6-11-22)14-17-31(26)16-8-15-29-28(34)30-25-13-7-12-24(20-25)21(2)32/h4-7,10-13,20,23,26-27,33H,3,8-9,14-19H2,1-2H3,(H2,29,30,34)/t23-,26-,27+/m1/s1
PubChem CID44295591
ChEMBLCHEMBL49921
IUPHARN/A
BindingDB50115084
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
12660C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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