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Ligand

NameMLS000556448
Molecular formulaC21H19N3O3S2
IUPAC namemethyl 7-acetyl-8-methyl-4,9-diphenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2-carboxylate
Molecular weight425.521
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.5
SynonymsSMR000147765
methyl 7-acetyl-8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
7-Acetyl-8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triaza-spiro[4.4]nona-2,7-diene-3-carboxylic acid methyl ester
AC1MO9K9
MLS002582233
[ Show all ]
Inchi KeyAGRJDWBLNSSGEW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19N3O3S2/c1-14-18(15(2)25)28-21(23(14)16-10-6-4-7-11-16)24(17-12-8-5-9-13-17)22-19(29-21)20(26)27-3/h4-13H,1-3H3
PubChem CID3316814
ChEMBLCHEMBL1442604
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5143Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
5142Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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