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Ligand

NameCHEMBL539792
Molecular formulaC40H38Cl2N6O4
IUPAC nameN-[4-[(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]phenyl]pyridine-4-carboxamide
Molecular weight737.682
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.8
SynonymsCHEMBL1189935
BDBM50146114
N-(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-1-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-phenyl)-isonicotinamide; Trihydrochloride
Inchi KeyANUKLJHLXUTQKD-LFIBNONCSA-N
Inchi IDInChI=1S/C40H38Cl2N6O4/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)16-11-27-9-12-29(13-10-27)46-40(51)28-17-19-43-20-18-28/h6-20,23H,3-5,21-22,24-25H2,1-2H3,(H,44,49)(H,46,51)/b16-11+
PubChem CID11308648
ChEMBLN/A
IUPHARN/A
BindingDB50146114
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
9909B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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