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Ligand

NameCHEMBL537927
Molecular formulaC40H39Cl3N6O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-pyridin-4-ylbenzamide;hydrochloride
Molecular weight774.14
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyDWHAMPYHNLHWKD-YFMOEUEHSA-N
Inchi IDInChI=1S/C40H38Cl2N6O4.ClH/c1-26-23-34(48-21-4-3-5-22-48)30-7-6-8-35(39(30)45-26)52-25-31-32(41)14-15-33(38(31)42)47(2)37(50)24-44-36(49)16-11-27-9-12-28(13-10-27)40(51)46-29-17-19-43-20-18-29;/h6-20,23H,3-5,21-22,24-25H2,1-2H3,(H,44,49)(H,43,46,51);1H/b16-11+;
PubChem CID45263959
ChEMBLCHEMBL537927
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70566B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
70567B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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