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Ligand

NameMLS002232289
Molecular formulaC26H28F3N7O3
IUPAC nameN-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid
Molecular weight543.551
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogPNone
SynonymsCHEMBL3189466
SMR001307843
Inchi KeyAFAHMILKNZWDEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N7O.C2HF3O2/c1-3-23(32)27-19-6-4-18(5-7-19)26-22-12-13-25-24(29-22)28-20-8-10-21(11-9-20)31-16-14-30(2)15-17-31;3-2(4,5)1(6)7/h3-13H,1,14-17H2,2H3,(H,27,32)(H2,25,26,28,29);(H,6,7)
PubChem CID56603512
ChEMBLCHEMBL3189466
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3988Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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