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Ligand

NameCHEMBL553293
Molecular formulaC33H30Cl2N4O4
IUPAC name(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
Molecular weight617.527
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
Synonyms(E)-3-[4-(2-Oxopyrrolizino)phenyl]-N-[2-[methyl[2,4-dichloro-3-[(2-methylquinoline-8-yl)oxymethyl]phenyl]amino]-2-oxoethyl]acrylamide
BDBM50067274
SCHEMBL7750111
(E)-N-({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide; hydrochloride
CHEMBL1194778
Inchi KeyBLYCSXNDGLHJTK-GZTJUZNOSA-N
Inchi IDInChI=1S/C33H30Cl2N4O4/c1-21-8-12-23-5-3-6-28(33(23)37-21)43-20-25-26(34)15-16-27(32(25)35)38(2)31(42)19-36-29(40)17-11-22-9-13-24(14-10-22)39-18-4-7-30(39)41/h3,5-6,8-17H,4,7,18-20H2,1-2H3,(H,36,40)/b17-11+
PubChem CID10555818
ChEMBLN/A
IUPHARN/A
BindingDB50067274
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
27102B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
27103B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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