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Ligand

NameCHEMBL71009
Molecular formulaC27H36N10O3
IUPAC name2-[3-(4-azido-2-nitroanilino)propyl]-1-cyano-3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]guanidine
Molecular weight548.652
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP5.9
Synonyms1-[3-(4-Azido-2-nitrophenylamino)propyl]-2-cyano-3-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]guanidine
Inchi KeyBKMLCPKJECIGOI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H36N10O3/c28-21-33-27(32-14-7-13-30-25-11-10-23(34-35-29)19-26(25)37(38)39)31-12-2-5-17-40-24-9-6-8-22(18-24)20-36-15-3-1-4-16-36/h6,8-11,18-19,30H,1-5,7,12-17,20H2,(H2,31,32,33)
PubChem CID15179502
ChEMBLCHEMBL71009
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25914Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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