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Ligand

NameCHEMBL43746
Molecular formulaC31H31Cl2N5O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-3-[(1-ethyl-2-methylbenzimidazol-4-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight608.52
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.9
SynonymsSCHEMBL8049452
BDBM50067306
4-{(E)-2-[({[2,4-Dichloro-3-(1-ethyl-2-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
Inchi KeyBYKZZMXPZYHALP-LFIBNONCSA-N
Inchi IDInChI=1S/C31H31Cl2N5O4/c1-5-38-19(2)36-30-25(38)7-6-8-26(30)42-18-22-23(32)14-15-24(29(22)33)37(4)28(40)17-35-27(39)16-11-20-9-12-21(13-10-20)31(41)34-3/h6-16H,5,17-18H2,1-4H3,(H,34,41)(H,35,39)/b16-11+
PubChem CID10675204
ChEMBLCHEMBL43746
IUPHARN/A
BindingDB50067306
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35885B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
35886B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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