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Ligand

NameCHEMBL111423
Molecular formulaC21H25NO3S
IUPAC nameethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propylpyridine-3-carboxylate
Molecular weight371.495
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.2
Synonyms5-Ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl-nicotinic acid ethyl ester
BDBM50190448
ethyl 5-(ethylthiocarbonyl)-6-methyl-2-phenyl-4-propylnicotinate
SCHEMBL7680732
Inchi KeyCOIYLGMUGWDDPB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO3S/c1-5-11-16-17(21(24)26-7-3)14(4)22-19(15-12-9-8-10-13-15)18(16)20(23)25-6-2/h8-10,12-13H,5-7,11H2,1-4H3
PubChem CID10714291
ChEMBLCHEMBL111423
IUPHARN/A
BindingDB50190448
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46700Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
46697Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
46698Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
46699Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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