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Ligand

NameCHEMBL424268
Molecular formulaC31H32N6O4
IUPAC name(E)-3-(6-acetamidopyridin-3-yl)-N-[2-oxo-2-[N,2,4-trimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]anilino]ethyl]prop-2-enamide
Molecular weight552.635
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.0
SynonymsSCHEMBL8361792
SCHEMBL8361793
BDBM50067300
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
Inchi KeyFSZTYVUALDTBLQ-SDNWHVSQSA-N
Inchi IDInChI=1S/C31H32N6O4/c1-19-9-12-26(21(3)24(19)18-41-27-8-6-7-25-31(27)35-20(2)15-32-25)37(5)30(40)17-34-29(39)14-11-23-10-13-28(33-16-23)36-22(4)38/h6-16H,17-18H2,1-5H3,(H,34,39)(H,33,36,38)/b14-11+
PubChem CID10530740
ChEMBLCHEMBL424268
IUPHARN/A
BindingDB50067300
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
86536B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
86537B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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