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Ligand

NameBRD-K69226362-001-05-5
Molecular formulaC17H17ClN2O3S
IUPAC name1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
Molecular weight364.844
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsAP-263/42234231
cid_1288960
ZINC1110354
1-(5-chloro-2-ethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
MLS000530843
[ Show all ]
Inchi KeyAGZGIPXMMPWBJH-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17ClN2O3S/c1-4-23-16-6-5-13(18)9-17(16)24(21,22)20-10-19-14-7-11(2)12(3)8-15(14)20/h5-10H,4H2,1-3H3
PubChem CID1288960
ChEMBLCHEMBL1447853
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
5354Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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