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Ligand

NameCHEMBL284727
Molecular formulaC34H28Cl2N4O3
IUPAC name3-[5-(4-cyanobenzoyl)-1-methylpyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
Molecular weight611.523
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.7
SynonymsN-[2,4-Dichloro-3-(2-methyl-8-quinolinyloxymethyl)phenyl]-N,1-dimethyl-5-(4-cyanobenzoyl)-1H-pyrrole-2-propionamide
BDBM50126226
L021404
3-[5-(4-Cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-propionamide
Inchi KeyCNHAEHBBRBWRJA-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H28Cl2N4O3/c1-21-7-10-23-5-4-6-30(33(23)38-21)43-20-26-27(35)15-17-28(32(26)36)40(3)31(41)18-14-25-13-16-29(39(25)2)34(42)24-11-8-22(19-37)9-12-24/h4-13,15-17H,14,18,20H2,1-3H3
PubChem CID9916936
ChEMBLCHEMBL284727
IUPHARN/A
BindingDB50126226
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
46024B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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