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Ligand

NameCHEMBL72953
Molecular formulaC14H15F2N5
IUPAC name1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Molecular weight291.306
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
Synonyms(1-Ethyl-7,8-difluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-isopropyl-amine
BDBM50015781
4-Isopropylamino-1-ethyl-7,8-difluoro[1,2,4]triazolo[4,3-a]quinoxaline
Inchi KeyADWNEKQETWWCTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15F2N5/c1-4-12-19-20-14-13(17-7(2)3)18-10-5-8(15)9(16)6-11(10)21(12)14/h5-7H,4H2,1-3H3,(H,17,18)
PubChem CID13385793
ChEMBLCHEMBL72953
IUPHARN/A
BindingDB50015781
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
3183Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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