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Name | CHEMBL2113426 |
---|---|
Molecular formula | C19H23N5O3S |
IUPAC name | (2R,3R,4S,5S)-2-[6-(benzylamino)purin-9-yl]-5-(ethylsulfanylmethyl)oxolane-3,4-diol |
Molecular weight | 401.485 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 2.3 |
Synonyms | N-Benzyl-5'-(ethylthio)-5'-deoxyadenosine |
Inchi Key | AODTZNBIOJWFHW-NVQRDWNXSA-N |
Inchi ID | InChI=1S/C19H23N5O3S/c1-2-28-9-13-15(25)16(26)19(27-13)24-11-23-14-17(21-10-22-18(14)24)20-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,25-26H,2,8-9H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m1/s1 |
PubChem CID | 10573122 |
ChEMBL | CHEMBL2113426 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
10152 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
10153 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
442103 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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