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Ligand

NameCHEMBL286710
Molecular formulaC33H31ClN4O3
IUPAC name2-[5-(6-chloropyridine-3-carbonyl)-1-methylpyrrol-2-yl]-N-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
Molecular weight567.086
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.1
SynonymsBDBM50126258
L022419
2-[5-(6-Chloro-pyridine-3-carbonyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide
Inchi KeyANVSGCMMXYFPIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H31ClN4O3/c1-20-9-14-27(22(3)26(20)19-41-29-8-6-7-23-11-10-21(2)36-32(23)29)38(5)31(39)17-25-13-15-28(37(25)4)33(40)24-12-16-30(34)35-18-24/h6-16,18H,17,19H2,1-5H3
PubChem CID44215784
ChEMBLCHEMBL286710
IUPHARN/A
BindingDB50126258
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9931B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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