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Ligand

NameCHEMBL3215999
Molecular formulaC37H41Cl6N5O5
IUPAC name(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholin-4-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;tetrahydrochloride
Molecular weight848.465
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyFJKUVJWANXNBEP-VYYKFXENSA-N
Inchi IDInChI=1S/C37H37Cl2N5O5.4ClH/c1-24-21-31(43-17-19-48-20-18-43)27-5-3-6-32(37(27)41-24)49-23-28-29(38)13-14-30(36(28)39)42(2)35(47)22-40-33(45)15-10-25-8-11-26(12-9-25)44-16-4-7-34(44)46;;;;/h3,5-6,8-15,21H,4,7,16-20,22-23H2,1-2H3,(H,40,45);4*1H/b15-10+;;;;
PubChem CID90664542
ChEMBLCHEMBL3215999
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
79833B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
79834B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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