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Ligand

NameSCHEMBL18725755
Molecular formulaC42H45F3N4O6
IUPAC name[(5S)-6-(2,2-diphenylethylamino)-6-oxo-5-[[(3S)-2-(4-oxo-4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexyl]azanium;2,2,2-trifluoroacetate
Molecular weight758.839
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyBLJCDOHETYFQNQ-AIHXPYQNSA-N
Inchi IDInChI=1S/C40H44N4O4.C2HF3O2/c41-25-13-12-22-35(39(47)42-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)43-40(48)36-26-32-20-10-11-21-33(32)28-44(36)38(46)24-23-37(45)31-18-8-3-9-19-31;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,47)(H,43,48);(H,6,7)/t35-,36-;/m0./s1
PubChem CID129017773
ChEMBLCHEMBL3787171
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522368C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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