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Ligand

NameCHEMBL2205923
Molecular formulaC16H12BrN5OS
IUPAC name5-(4-bromophenyl)-13-(dimethylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Molecular weight402.27
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50401714
SCHEMBL8238906
Inchi KeyAXYUBVZQTKVPPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H12BrN5OS/c1-21(2)14-11-12-13(24-15(11)19-7-18-14)16(23)22(8-20-12)10-5-3-9(17)4-6-10/h3-8H,1-2H3
PubChem CID23634170
ChEMBLCHEMBL2205923
IUPHARN/A
BindingDB50401714
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
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GLASS IDNameUniProtGeneSpeciesLength
17226Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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