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Ligand

NameSCHEMBL4888322
Molecular formulaC28H28F2N4O3
IUPAC nameN-[(3,4-difluorophenyl)methyl]-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
Molecular weight506.554
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL4888328
CHEMBL3655458
AGADZVZMAMJOOU-DPNNOFEESA-N
BDBM101099
US8524917, 72
[ Show all ]
Inchi KeyAGADZVZMAMJOOU-OHUYPAJKSA-N
Inchi IDInChI=1S/C28H28F2N4O3/c1-17(2)37-21-9-10-22-25(14-21)34(16-20-7-5-6-12-31-20)27(18(3)33-36-4)26(22)28(35)32-15-19-8-11-23(29)24(30)13-19/h5-14,17H,15-16H2,1-4H3,(H,32,35)/b33-18-
PubChem CID59762325
ChEMBLCHEMBL3655458
IUPHARN/A
BindingDB101099
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4681Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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