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Ligand

Name2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Molecular formulaC17H18N6O5
IUPAC name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Molecular weight386.368
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP0.2
Synonyms2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide
MLS000778128
AC1NZSYY
SMR000414522
(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid [1-(4-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
[ Show all ]
Inchi KeyALUYWDYRWYPVTP-FBCYGCLPSA-N
Inchi IDInChI=1S/C17H18N6O5/c1-21-15-14(16(26)22(2)17(21)27)23(9-18-15)8-13(25)20-19-7-10-4-5-11(24)12(6-10)28-3/h4-7,9,24H,8H2,1-3H3,(H,20,25)/b19-7+
PubChem CID135641876
ChEMBLCHEMBL1979668
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557518Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
557516Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
557517Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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