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Ligand

NameMLS000093986
Molecular formulaC23H26N4O5
IUPAC nameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)propanamide
Molecular weight438.484
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsSMR000029600
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)propanamide
AC1MML65
MLS001367502
CHEMBL1461130
[ Show all ]
Inchi KeyAAHQEVWTRLMJPC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O5/c1-5-21-25-27(23(29)17-13-19-16(26(17)21)9-11-32-19)14(2)22(28)24-10-8-15-6-7-18(30-3)20(12-15)31-4/h6-7,9,11-14H,5,8,10H2,1-4H3,(H,24,28)
PubChem CID3240468
ChEMBLCHEMBL1461130
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
216Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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