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Ligand

NameMLS002156781
Molecular formulaC18H24FN3O3
IUPAC nameN-[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide
Molecular weight349.406
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.2
SynonymsCHEMBL1892178
MolPort-004-187-636
HMS3060L23
ZINC8314986
AKOS034177986
[ Show all ]
Inchi KeyAENFDNDIKQAAAX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24FN3O3/c1-22(12-16(23)21-15-9-7-14(19)8-10-15)17(24)11-20-18(25)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,20,25)(H,21,23)
PubChem CID9440434
ChEMBLCHEMBL1892178
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
463327Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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