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Ligand

NameCHEMBL264259
Molecular formulaC35H31Cl2N5O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(1-methyl-2-phenylbenzimidazol-4-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight656.564
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.9
SynonymsSCHEMBL7978857
4-{(E)-2-[({[2,4-Dichloro-3-(1-methyl-2-phenyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
SCHEMBL7978858
BDBM50067267
Inchi KeyFVHSFVCHIJEABK-XMHGGMMESA-N
Inchi IDInChI=1S/C35H31Cl2N5O4/c1-38-35(45)24-15-12-22(13-16-24)14-19-30(43)39-20-31(44)41(2)27-18-17-26(36)25(32(27)37)21-46-29-11-7-10-28-33(29)40-34(42(28)3)23-8-5-4-6-9-23/h4-19H,20-21H2,1-3H3,(H,38,45)(H,39,43)/b19-14+
PubChem CID10842026
ChEMBLCHEMBL264259
IUPHARN/A
BindingDB50067267
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
88159B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
88160B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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