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Ligand

NameCHEMBL555465
Molecular formulaC30H27Cl2N5O4
IUPAC name(E)-3-(4-acetamidophenyl)-N-[2-[2,4-dichloro-N-methyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide
Molecular weight592.477
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
Synonyms(E)-3-(4-Acetylamino-phenyl)-N-({[2,4-dichloro-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide; hydrochloride
CHEMBL1195858
BDBM50067298
SCHEMBL7748567
Inchi KeyCZXIPZLCSSFVQP-NTEUORMPSA-N
Inchi IDInChI=1S/C30H27Cl2N5O4/c1-18-15-33-24-5-4-6-26(30(24)35-18)41-17-22-23(31)12-13-25(29(22)32)37(3)28(40)16-34-27(39)14-9-20-7-10-21(11-8-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,36,38)/b14-9+
PubChem CID10793563
ChEMBLN/A
IUPHARN/A
BindingDB50067298
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
54765B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
54766B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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