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Ligand

NameCHEMBL381793
Molecular formulaC28H27FN4O
IUPAC name(2S)-2-amino-3-(4-fluorophenyl)-1-[(3S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
Molecular weight454.549
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.2
Synonyms(S)-2-amino-3-(4-fluorophenyl)-1-((S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
BDBM50182952
Inchi KeyAQWPTEYHBXESRD-DQEYMECFSA-N
Inchi IDInChI=1S/C28H27FN4O/c1-18-26(20-7-3-2-4-8-20)32-27(31-18)25-16-21-9-5-6-10-22(21)17-33(25)28(34)24(30)15-19-11-13-23(29)14-12-19/h2-14,24-25H,15-17,30H2,1H3,(H,31,32)/t24-,25-/m0/s1
PubChem CID10434116
ChEMBLCHEMBL381793
IUPHARN/A
BindingDB50182952
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12156Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
12155Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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