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Ligand

NameCHEMBL3764739
Molecular formulaC22H26F3N5OS
IUPAC name4-[3-[[4-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]morpholine
Molecular weight465.539
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50139888
SCHEMBL18741910
Inchi KeyBLGOAHHKRXNKKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26F3N5OS/c1-28-10-3-5-18(28)20-26-27-21(29(20)2)32-14-4-11-30-12-13-31-19(15-30)16-6-8-17(9-7-16)22(23,24)25/h3,5-10,19H,4,11-15H2,1-2H3
PubChem CID127040381
ChEMBLCHEMBL3764739
IUPHARN/A
BindingDB50139888
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522366D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
522365D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
522367D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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