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Ligand

NameAC1NRKQ1
Molecular formulaC19H17FN8O3
IUPAC name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
Molecular weight424.396
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP0.7
Synonyms2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{(1E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene}acetohydrazide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'~1~-{(E)-1-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]acetohydrazide
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]acetohydrazide
[ Show all ]
Inchi KeyGEMRQMMWCHIEKF-QPJQQBGISA-N
Inchi IDInChI=1S/C19H17FN8O3/c1-26-17-16(18(30)27(2)19(26)31)28(10-21-17)9-14(29)24-22-7-12-8-23-25-15(12)11-3-5-13(20)6-4-11/h3-8,10H,9H2,1-2H3,(H,23,25)(H,24,29)/b22-7+
PubChem CID135439671
ChEMBLCHEMBL1980641
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
560235Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
560236Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
560234Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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