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Ligand

NameAC1O15VG
Molecular formulaC22H20N2O4
IUPAC name(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Molecular weight376.412
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsMLS000389510
CHEMBL1361549
HMS2509P11
ZINC5070382
AKOS001061590
[ Show all ]
Inchi KeyAFMYPKDQZZDYCN-OQLLNIDSSA-N
Inchi IDInChI=1S/C22H20N2O4/c1-13-20(16-7-5-6-8-17(16)24-13)21(25)15(12-23)9-14-10-18(26-2)22(28-4)19(11-14)27-3/h5-11,24H,1-4H3/b15-9+
PubChem CID6062931
ChEMBLCHEMBL1361549
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
4285Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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