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Ligand

NameCHEMBL141485
Molecular formulaC20H25N5OS2
IUPAC name2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]thiophene-3-carboxamide
Molecular weight415.574
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
Synonyms2-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
BDBM50054713
N-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]-2-aminothiophene-3-carboxamide
SCHEMBL9209001
Inchi KeyXJOFOTULUMAAAE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N5OS2/c21-18-16(7-14-27-18)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
PubChem CID10597962
ChEMBLCHEMBL141485
IUPHARN/A
BindingDB50054713
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3935295-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
393530D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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