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Ligand

NameCHEMBL308685
Molecular formulaC26H36N6O3S
IUPAC name1-[2-(benzenesulfonamido)ethyl]-3-cyano-2-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]guanidine
Molecular weight512.673
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
Synonyms1-[2-(Phenylsulfonylamino)ethyl]-2-cyano-3-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]guanidine
Inchi KeyAEEXSDDDKFLWGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36N6O3S/c27-22-30-26(29-15-16-31-36(33,34)25-12-3-1-4-13-25)28-14-5-8-19-35-24-11-9-10-23(20-24)21-32-17-6-2-7-18-32/h1,3-4,9-13,20,31H,2,5-8,14-19,21H2,(H2,28,29,30)
PubChem CID15179539
ChEMBLCHEMBL308685
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
535996Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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