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Ligand

NameCHEMBL575605
Molecular formulaC31H25N7O2
IUPAC nameN-[4-(furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-naphthalen-2-ylacetamide
Molecular weight527.588
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50298514
5-[(beta-Naphthylmethyl)carbonyl]amino-8-(3-phenylpropyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
Inchi KeyAFUJBRCTPIZSNN-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H25N7O2/c39-27(19-22-14-15-23-11-4-5-12-24(23)18-22)32-31-34-28-25(30-33-29(36-38(30)31)26-13-7-17-40-26)20-37(35-28)16-6-10-21-8-2-1-3-9-21/h1-5,7-9,11-15,17-18,20H,6,10,16,19H2,(H,32,34,35,39)
PubChem CID45482084
ChEMBLCHEMBL575605
IUPHARN/A
BindingDB50298514
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4514Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
4512Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4513Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
4511Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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