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Ligand

NameSCHEMBL18725749
Molecular formulaC43H47F3N4O6
IUPAC name[(2S)-1-(2,2-diphenylethylamino)-1-oxo-6-[[(3S)-2-(5-oxo-5-phenylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexan-2-yl]azanium;2,2,2-trifluoroacetate
Molecular weight772.866
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyBQJJOTPBYNMDQV-GVGVJZOBSA-N
Inchi IDInChI=1S/C41H46N4O4.C2HF3O2/c42-36(40(48)44-28-35(30-15-4-1-5-16-30)31-17-6-2-7-18-31)23-12-13-26-43-41(49)37-27-33-21-10-11-22-34(33)29-45(37)39(47)25-14-24-38(46)32-19-8-3-9-20-32;3-2(4,5)1(6)7/h1-11,15-22,35-37H,12-14,23-29,42H2,(H,43,49)(H,44,48);(H,6,7)/t36-,37-;/m0./s1
PubChem CID129017765
ChEMBLCHEMBL3785622
IUPHARN/A
BindingDB50159709
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
522465C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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