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Ligand

NameCHEMBL3980193
Molecular formulaC29H29Cl2N7O3
IUPAC name3-[3-[5-[(3,5-dichloropyridin-4-yl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-[2-(dimethylamino)ethyl]benzamide
Molecular weight594.497
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.7
SynonymsBDBM50199697
SCHEMBL2825119
Inchi KeyAKYNAGZPIIPONO-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29Cl2N7O3/c1-4-38-28(40)25(34-29(41)35-26-22(30)16-32-17-23(26)31)15-24(36-38)20-9-5-7-18(13-20)19-8-6-10-21(14-19)27(39)33-11-12-37(2)3/h5-10,13-17H,4,11-12H2,1-3H3,(H,33,39)(H2,32,34,35,41)
PubChem CID46213946
ChEMBLCHEMBL3980193
IUPHARN/A
BindingDB50199697
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536174Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
536176Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
536175Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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