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Ligand

NameCHEMBL298463
Molecular formulaC30H27Cl2N5O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinazolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight592.477
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
SynonymsSCHEMBL7748257
BDBM50067311
(E)-3-(4-Methylcarbamoylphenyl)-N-[2-[methyl[2,4-dichloro-3-[(2-methylquinazoline-8-yl)oxymethyl]phenyl]amino]-2-oxoethyl]acrylamide
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinazolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
Inchi KeyFRQLTBAERTVIAL-NTEUORMPSA-N
Inchi IDInChI=1S/C30H27Cl2N5O4/c1-18-34-15-21-5-4-6-25(29(21)36-18)41-17-22-23(31)12-13-24(28(22)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
PubChem CID10651074
ChEMBLCHEMBL298463
IUPHARN/A
BindingDB50067311
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
85655B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
85656B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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