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Ligand

NameCHEMBL342742
Molecular formulaC21H26N6OS
IUPAC name4-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide
Molecular weight410.54
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.1
Synonyms4-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-nicotinamide
BDBM50054711
N-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]-4-aminopyridine-3-carboxamide
SCHEMBL9202575
Inchi KeyXFUBOVYBCDSIHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N6OS/c22-18-7-9-23-15-17(18)21(28)24-8-3-4-10-26-11-13-27(14-12-26)20-16-5-1-2-6-19(16)29-25-20/h1-2,5-7,9,15H,3-4,8,10-14H2,(H2,22,23)(H,24,28)
PubChem CID11795852
ChEMBLCHEMBL342742
IUPHARN/A
BindingDB50054711
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
3907245-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
390723D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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