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Ligand

NameCHEMBL164039
Molecular formulaC24H29NO4S2
IUPAC nameethyl 6-(2-acetylsulfanylethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate
Molecular weight459.619
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.6
Synonyms6-(2-Acetylsulfanyl-ethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-nicotinic acid ethyl ester
BDBM50074232
Inchi KeyAGVUBFBBRYYSDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29NO4S2/c1-5-11-18-20(24(28)30-7-3)19(14-15-31-16(4)26)25-22(17-12-9-8-10-13-17)21(18)23(27)29-6-2/h8-10,12-13H,5-7,11,14-15H2,1-4H3
PubChem CID9804259
ChEMBLCHEMBL164039
IUPHARN/A
BindingDB50074232
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5266Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
5267Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
5268Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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