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Ligand

NameAC1NIFRM
Molecular formulaC19H24N6O5
IUPAC name[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Molecular weight416.438
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP0.5
SynonymsSMR001246224
CHEMBL1376372
Z18551552
MLS002163842
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
[ Show all ]
Inchi KeyCWNWSXYXSBWNQK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N6O5/c1-22-16-15(17(28)23(2)18(22)29)25(12-21-16)9-14(27)30-10-13(26)24(3)19(11-20)7-5-4-6-8-19/h12H,4-10H2,1-3H3
PubChem CID4855374
ChEMBLCHEMBL1376372
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
52253Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
52252Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
52251Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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