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Ligand

NameCHEMBL1940120
Molecular formulaC19H22N6O3S2
IUPAC name5-methyl-N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
Molecular weight446.544
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.1
SynonymsBDBM50362388
Inchi KeyAJELSTCUTCXIEC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N6O3S2/c1-14-2-3-16-18(23-29-22-16)19(14)30(27,28)21-9-6-17(26)25-12-10-24(11-13-25)15-4-7-20-8-5-15/h2-5,7-8,21H,6,9-13H2,1H3
PubChem CID57391280
ChEMBLCHEMBL1940120
IUPHARN/A
BindingDB50362388
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6831Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460

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