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Name | CHEMBL111423 |
---|---|
Molecular formula | C21H25NO3S |
IUPAC name | ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propylpyridine-3-carboxylate |
Molecular weight | 371.495 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 5.2 |
Synonyms | BDBM50190448 ethyl 5-(ethylthiocarbonyl)-6-methyl-2-phenyl-4-propylnicotinate 5-Ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl-nicotinic acid ethyl ester SCHEMBL7680732 |
Inchi Key | COIYLGMUGWDDPB-UHFFFAOYSA-N |
Inchi ID | InChI=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 CID | 10714291 |
ChEMBL | CHEMBL111423 |
IUPHAR | N/A |
BindingDB | 50190448 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
46700 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
46697 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
46698 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
46699 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
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