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Ligand

NameCHEMBL341343
Molecular formulaC27H28N4O2
IUPAC name1-[2-[(4-benzylpiperidin-1-yl)methyl]-4-hydroxyphenyl]-3-(3-cyanophenyl)urea
Molecular weight440.547
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.4
SynonymsBDBM50117467
SCHEMBL6701641
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-4-hydroxy-phenyl]-3-(3-cyano-phenyl)-urea
Inchi KeyAUYJORIOBVNNLQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O2/c28-18-22-7-4-8-24(16-22)29-27(33)30-26-10-9-25(32)17-23(26)19-31-13-11-21(12-14-31)15-20-5-2-1-3-6-20/h1-10,16-17,21,32H,11-15,19H2,(H2,29,30,33)
PubChem CID11048458
ChEMBLCHEMBL341343
IUPHARN/A
BindingDB50117467
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
15057C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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