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Ligand

NameSMR000145689
Molecular formulaC23H15N3O5
IUPAC name4-hydroxy-N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminobenzamide
Molecular weight413.389
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.6
SynonymsAC1OB46V
MLS000551764
CHEMBL1584694
CHEBI:121462
MolPort-002-642-987
[ Show all ]
Inchi KeyAATPPZVLYNXMFT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H15N3O5/c27-14-11-9-13(10-12-14)20(28)25-24-19-17-7-3-4-8-18(17)26(21(19)29)22-15-5-1-2-6-16(15)23(30)31-22/h1-12,22,27,29H
PubChem CID4891265
ChEMBLCHEMBL1584694
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
557321Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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