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Ligand

NameCHEMBL70633
Molecular formulaC26H35N7O2
IUPAC name3-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide
Molecular weight477.613
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.5
Synonyms1-[2-[3-Aminobenzoylamino]ethyl]-2-cyano-3-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]guanidine
Inchi KeyBSUMFPRTGJKVIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N7O2/c27-20-32-26(31-13-12-29-25(34)22-8-5-9-23(28)18-22)30-11-6-16-35-24-10-4-7-21(17-24)19-33-14-2-1-3-15-33/h4-5,7-10,17-18H,1-3,6,11-16,19,28H2,(H,29,34)(H2,30,31,32)
PubChem CID15179509
ChEMBLCHEMBL70633
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
32007Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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