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Ligand

NameCHEMBL51052
Molecular formulaC27H37N3O3
IUPAC name1-(3-acetylphenyl)-3-[3-[(2R,4S)-4-benzyl-2-(2-hydroxypropan-2-yl)piperidin-1-yl]propyl]urea
Molecular weight451.611
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.7
SynonymsBDBM50115022
1-(3-Acetyl-phenyl)-3-{3-[(2R,4S)-4-benzyl-2-(1-hydroxy-1-methyl-ethyl)-piperidin-1-yl]-propyl}-urea
Inchi KeyAXUHRCROLFVLAP-RCZVLFRGSA-N
Inchi IDInChI=1S/C27H37N3O3/c1-20(31)23-11-7-12-24(19-23)29-26(32)28-14-8-15-30-16-13-22(18-25(30)27(2,3)33)17-21-9-5-4-6-10-21/h4-7,9-12,19,22,25,33H,8,13-18H2,1-3H3,(H2,28,29,32)/t22-,25-/m1/s1
PubChem CID44295304
ChEMBLCHEMBL51052
IUPHARN/A
BindingDB50115022
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
17079C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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