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Ligand

NameCHEMBL1834695
Molecular formulaC22H17F3N8O2
IUPAC name1-(4-methoxyphenyl)-3-[11-methyl-4-[4-(trifluoromethyl)phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea
Molecular weight482.427
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50355154
Inchi KeyAOWMFZKPFZJQQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34)
PubChem CID56675199
ChEMBLCHEMBL1834695
IUPHARN/A
BindingDB50355154
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
10642Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
10643Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
10644Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
442125Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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