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Ligand

NameCHEMBL72243
Molecular formulaC25H33N7O2
IUPAC nameN-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]pyridine-4-carboxamide
Molecular weight463.586
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.1
Synonyms1-[3-[3-(1-Piperidinylmethyl)phenoxy]propyl]-2-cyano-3-[2-(4-pyridinylcarbonylamino)ethyl]guanidine
Inchi KeyAFSOBRQDXCJSEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N7O2/c26-20-31-25(30-14-13-28-24(33)22-8-11-27-12-9-22)29-10-5-17-34-23-7-4-6-21(18-23)19-32-15-2-1-3-16-32/h4,6-9,11-12,18H,1-3,5,10,13-17,19H2,(H,28,33)(H2,29,30,31)
PubChem CID15179510
ChEMBLCHEMBL72243
IUPHARN/A
BindingDBN/A
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
536046Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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