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Ligand

NameCHEMBL358232
Molecular formulaC25H23N3O
IUPAC name1-ethyl-5-methyl-2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]pyrrole-3-carbonitrile
Molecular weight381.479
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.9
SynonymsSCHEMBL7579266
BDBM50062904
1-Ethyl-5-methyl-2-[4-(2-methyl-quinolin-4-yloxymethyl)-phenyl]-1H-pyrrole-3-carbonitrile
Inchi KeyDYFGHBMXWLTOPT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N3O/c1-4-28-18(3)14-21(15-26)25(28)20-11-9-19(10-12-20)16-29-24-13-17(2)27-23-8-6-5-7-22(23)24/h5-14H,4,16H2,1-3H3
PubChem CID44369201
ChEMBLCHEMBL358232
IUPHARN/A
BindingDB50062904
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
71946B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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