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Ligand

NameAC1MR1M1
Molecular formulaC25H24FN5O2
IUPAC nameN-cyclopentyl-7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular weight445.498
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
SynonymsMLS001139211
ZINC101111164
AKOS005182111
N-cyclopentyl{1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropy ridino[2,3-d]pyridino[1,2-a]pyrimidin-3-yl)}carboxamide
HMS2935M18
[ Show all ]
Inchi KeyAAOGXTPEJATQRN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24FN5O2/c1-15-5-4-12-30-22(15)29-23-20(25(30)33)13-19(24(32)28-18-6-2-3-7-18)21(27)31(23)14-16-8-10-17(26)11-9-16/h4-5,8-13,18,27H,2-3,6-7,14H2,1H3,(H,28,32)
PubChem CID3461011
ChEMBLCHEMBL1483092
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: 2
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GLASS IDNameUniProtGeneSpeciesLength
387Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463004Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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