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Ligand

NameCHEMBL1956869
Molecular formulaC34H46Cl2N5O5S+
IUPAC name3-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]propyl-trimethylazanium
Molecular weight707.732
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50419893
CHEMBL1963151
Inchi KeyBDHIAJRXXMVUAK-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H46Cl2N5O5S/c1-24-22-25(2)37-32-26(24)8-6-9-29(32)46-23-27-28(35)10-11-30(31(27)36)47(43,44)38-34(12-20-45-21-13-34)33(42)40-17-15-39(16-18-40)14-7-19-41(3,4)5/h6,8-11,22,38H,7,12-21,23H2,1-5H3/q+1
PubChem CID57393062
ChEMBLN/A
IUPHARN/A
BindingDB50419893
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20926B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
20925B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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