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Ligand

NameCHEMBL123957
Molecular formulaC27H28N4O
IUPAC name1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-(3-cyanophenyl)urea
Molecular weight424.548
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50117465
SCHEMBL6701753
1-[3-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(3-cyano-phenyl)-urea
Inchi KeyAZDWHTAGSYJJPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O/c28-19-23-8-4-10-25(17-23)29-27(32)30-26-11-5-9-24(18-26)20-31-14-12-22(13-15-31)16-21-6-2-1-3-7-21/h1-11,17-18,22H,12-16,20H2,(H2,29,30,32)
PubChem CID11144348
ChEMBLCHEMBL123957
IUPHARN/A
BindingDB50117465
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
18069C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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