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Ligand

NameCHEMBL1161797
Molecular formulaC13H8N6O2S
IUPAC name[4-(3-cyanophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]carbamic acid
Molecular weight312.307
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.0
SynonymsN/A
Inchi KeyALMKXOHIUFCWIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)
PubChem CID44402758
ChEMBLCHEMBL1161797
IUPHARN/A
BindingDBN/A
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
8398Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
8400Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
8399Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
442043Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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