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Ligand

NameCHEMBL553897
Molecular formulaC41H40Cl2N6O4
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-2-ylmethyl)benzamide
Molecular weight751.709
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.8
SynonymsBDBM50146117
SCHEMBL6646607
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-1-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-pyridin-2-ylmethyl-benzamide; Trihydrochloride
CHEMBL1195125
Inchi KeyAXRYWEAVAZCNIT-XMHGGMMESA-N
Inchi IDInChI=1S/C41H40Cl2N6O4/c1-27-23-35(49-21-6-3-7-22-49)31-10-8-11-36(40(31)47-27)53-26-32-33(42)17-18-34(39(32)43)48(2)38(51)25-45-37(50)19-14-28-12-15-29(16-13-28)41(52)46-24-30-9-4-5-20-44-30/h4-5,8-20,23H,3,6-7,21-22,24-26H2,1-2H3,(H,45,50)(H,46,52)/b19-14+
PubChem CID11193509
ChEMBLN/A
IUPHARN/A
BindingDB50146117
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
17026B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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