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Ligand

NameMLS000072923
Molecular formulaC24H24N6O3
IUPAC name6-imino-11-methyl-2-oxo-N-(oxolan-2-ylmethyl)-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular weight444.495
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.7
SynonymsSMR000013118
2-Imino-8-methyl-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
AC1LCLFX
BAS 04995535
Oprea1_062411
[ Show all ]
Inchi KeyAFJDCYRFFYKKSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(23(31)27-13-17-7-4-10-33-17)20(25)30(22)14-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)
PubChem CID652081
ChEMBLCHEMBL1578543
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
4202Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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