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Ligand

NameMLS000086722
Molecular formulaC17H25N3O2S
IUPAC nameN-[3-[butyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
Molecular weight335.466
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
SynonymsAC1MMJ0T
MCULE-4997970689
CCG-27233
N-[3-[butyl(methyl)amino]propyl]-2-(2-keto-1,3-benzothiazol-3-yl)acetamide
cid_3239520
[ Show all ]
Inchi KeyFOVXFYNKMOHPDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H25N3O2S/c1-3-4-11-19(2)12-7-10-18-16(21)13-20-14-8-5-6-9-15(14)23-17(20)22/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,18,21)
PubChem CID3239520
ChEMBLCHEMBL1455021
IUPHARN/A
BindingDB31025
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
836875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
836895-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
83688Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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