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Ligand

NameCHEMBL386408
Molecular formulaC17H21N5O2S
IUPAC name5-(azepan-1-yl)-N,N-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-13-amine oxide
Molecular weight359.448
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.3
SynonymsBDBM50177051
3-azepan-1-yl-9-(dimethylnitroryl)pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
9-(N,N-dimethyl-N-oxyamino)-3-(N-hexamethyleneiminyl)-3H-5-thia-1,3,6-triaza-fluoren-4-one
Inchi KeyAKXCOQICNDOOTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N5O2S/c1-22(2,24)12-7-8-18-16-13(12)14-15(25-16)17(23)21(11-19-14)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3
PubChem CID11537767
ChEMBLCHEMBL386408
IUPHARN/A
BindingDB50177051
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7994Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
7996Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
7993Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
7995Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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