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Ligand

NameCHEMBL574701
Molecular formulaC21H17N7O5
IUPAC name(2S)-5-[3-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]propyl]-1,3-benzodioxole-2-carboxylic acid
Molecular weight447.411
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.2
Synonyms(S)-5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzo[d][1,3]dioxole-2-carboxylic acid
BDBM50298506
Inchi KeyAFOOOKGSRGDTCL-FQEVSTJZSA-N
Inchi IDInChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m0/s1
PubChem CID45482474
ChEMBLCHEMBL574701
IUPHARN/A
BindingDB50298506
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
4353Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4352Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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