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Ligand

NameBAS 04995413
Molecular formulaC23H27N5O4
IUPAC name6-imino-11-methyl-2-oxo-N,7-bis(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular weight437.5
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.7
Synonyms2-Imino-8-methyl-10-oxo-1-(tetrahydro-furan-2-ylmethyl)-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
MCULE-1049236690
AKOS016064387
STL448804
2-imino-10-methyl-5-oxo-N,1-bis(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
[ Show all ]
Inchi KeyAAHPEOJUDRVGDE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2,5,8,11,15-16,24H,3-4,6-7,9-10,12-13H2,1H3,(H,25,29)
PubChem CID3151316
ChEMBLCHEMBL1539382
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: 3
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GLASS IDNameUniProtGeneSpeciesLength
213Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
212Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
211Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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