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Ligand

NameMLS001115835
Molecular formulaC17H22N4O4
IUPAC nameethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate
Molecular weight346.387
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP0.6
SynonymsCHEMBL1510088
SMR000626168
CCG-159655
HMS2958G08
AKOS001876830
Inchi KeyCNYOAULPZRAZDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22N4O4/c1-3-25-17(24)13-6-9-19(10-7-13)15(22)11-21-16(23)14-5-4-8-20(14)12(2)18-21/h4-5,8,13H,3,6-7,9-11H2,1-2H3
PubChem CID22514400
ChEMBLCHEMBL1510088
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
46443Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
46444Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
46445Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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