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Ligand

NameCHEMBL284726
Molecular formulaC35H28Cl2N4O3
IUPAC name2-[5-(4-cyanobenzoyl)-1-methylpyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-prop-2-enylacetamide
Molecular weight623.534
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.1
SynonymsBDBM50126243
N-Allyl-2-[5-(4-cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-acetamide
Inchi KeyCVGKRCDLVKMYEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H28Cl2N4O3/c1-4-18-41(32(42)19-26-14-16-30(40(26)3)35(43)25-12-9-23(20-38)10-13-25)29-17-15-28(36)27(33(29)37)21-44-31-7-5-6-24-11-8-22(2)39-34(24)31/h4-17H,1,18-19,21H2,2-3H3
PubChem CID44276716
ChEMBLCHEMBL284726
IUPHARN/A
BindingDB50126243
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
51428B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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