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Ligand

NameCHEMBL3353830
Molecular formulaC21H19N5S
IUPAC name2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]benzonitrile
Molecular weight373.478
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50040910
SCHEMBL14812696
Inchi KeyAGBWHQMJVOFDLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19N5S/c1-2-3-12-26-18-11-7-6-10-17(18)19-20(26)23-21(25-24-19)27-14-16-9-5-4-8-15(16)13-22/h4-11H,2-3,12,14H2,1H3
PubChem CID71539800
ChEMBLCHEMBL3353830
IUPHARN/A
BindingDB50040910
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
441891Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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