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Ligand

NameCHEMBL433214
Molecular formulaC38H35Cl2N5O6
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-2-methoxy-N-methylbenzamide
Molecular weight728.627
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50146906
SCHEMBL6958626
4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2-ylmethoxy)-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-carbamoyl}-vinyl)-2-methoxy-N-methyl-benzamide
Inchi KeyAXGOVEYCGLKHAC-FOWTUZBSSA-N
Inchi IDInChI=1S/C38H35Cl2N5O6/c1-23-18-33(50-21-25-8-5-6-17-42-25)26-9-7-10-31(37(26)44-23)51-22-28-29(39)14-15-30(36(28)40)45(3)35(47)20-43-34(46)16-12-24-11-13-27(38(48)41-2)32(19-24)49-4/h5-19H,20-22H2,1-4H3,(H,41,48)(H,43,46)/b16-12+
PubChem CID11445540
ChEMBLCHEMBL433214
IUPHARN/A
BindingDB50146906
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
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GLASS IDNameUniProtGeneSpeciesLength
16686B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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