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Ligand

NameMLS000537663
Molecular formulaC24H21NO2
IUPAC name10-[bis(4-methylphenyl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Molecular weight355.437
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
SynonymsSMR000143904
10-[bis(4-methylphenyl)methylene]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
AC1MG89F
CHEMBL1446969
BDBM79974
[ Show all ]
Inchi KeyACTMDNIAXPEGIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21NO2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)20-17-11-12-18(20)22-21(17)23(26)25-24(22)27/h3-12,17-18,21-22H,1-2H3,(H,25,26,27)
PubChem CID2957057
ChEMBLCHEMBL1446969
IUPHARN/A
BindingDB79974
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1894C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
1893Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1892Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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