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Ligand

NameCHEMBL515433
Molecular formulaC14H9FN6O
IUPAC name7-amino-4-(4-fluorophenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
Molecular weight296.265
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.1
SynonymsBDBM50256974
4-amino-2-(4-fluorophenyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1(2H)-one
Inchi KeyBQGQSBDUMCBKES-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H9FN6O/c15-8-3-5-9(6-4-8)21-14(22)20-10-2-1-7-17-12(10)18-11(16)13(20)19-21/h1-7H,(H2,16,17,18)
PubChem CID42626156
ChEMBLCHEMBL515433
IUPHARN/A
BindingDB50256974
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30272Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
30271Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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