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Ligand

NameMLS000587374
Molecular formulaC30H44N2O4
IUPAC name2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione
Molecular weight496.692
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.2
SynonymsAKOS005471270
STK541333
2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione;hydrochloride
cid_12005598
MolPort-000-745-358
[ Show all ]
Inchi KeyCKJMLCBLCIPXFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H44N2O4/c1-5-19-35-27-15-11-23(12-16-27)29(33)25(21-31-7-3)9-10-26(22-32-8-4)30(34)24-13-17-28(18-14-24)36-20-6-2/h11-18,25-26,31-32H,5-10,19-22H2,1-4H3
PubChem CID3835696
ChEMBLN/A
IUPHARN/A
BindingDB41950
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44102Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
44100Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
44101Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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