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Ligand

NameCHEMBL142211
Molecular formulaC21H26N6OS
IUPAC name3-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide
Molecular weight410.54
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.4
SynonymsN-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]-3-aminopyridine-2-carboxamide
SCHEMBL9209048
BDBM50054714
L011303
3-Amino-pyridine-2-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
Inchi KeyHRDPYIFRAIOXAE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N6OS/c22-17-7-5-10-23-19(17)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15,22H2,(H,24,28)
PubChem CID9844458
ChEMBLCHEMBL142211
IUPHARN/A
BindingDB50054714
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
1219845-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
121983D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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