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Ligand

NameCHEMBL3765266
Molecular formulaC26H27F3N6O2S
IUPAC name4-[3-[[4-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]morpholine
Molecular weight544.597
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50139924
SCHEMBL18741933
Inchi KeyCRCNNTYVVVULMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27F3N6O2S/c1-17-30-23(33-37-17)19-4-6-20(7-5-19)24-31-32-25(34(24)2)38-15-3-12-35-13-14-36-22(16-35)18-8-10-21(11-9-18)26(27,28)29/h4-11,22H,3,12-16H2,1-2H3
PubChem CID127040382
ChEMBLCHEMBL3765266
IUPHARN/A
BindingDB50139924
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522959D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
522957D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
522958D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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