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Ligand

NameCHEMBL79974
Molecular formulaC20H33N3O2
IUPAC name1-(2-methylpropyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
Molecular weight347.503
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50406661
1-[3-[3-(Piperidinomethyl)phenoxy]propyl]-3-(2-methylpropyl)urea
Inchi KeyBCUAVAUKFQIGNE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H33N3O2/c1-17(2)15-22-20(24)21-10-7-13-25-19-9-6-8-18(14-19)16-23-11-4-3-5-12-23/h6,8-9,14,17H,3-5,7,10-13,15-16H2,1-2H3,(H2,21,22,24)
PubChem CID14514757
ChEMBLCHEMBL79974
IUPHARN/A
BindingDB50406661
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20530Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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