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Name | Adenosine-5'-(N-propyl)carboxamide |
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Molecular formula | C13H18N6O4 |
IUPAC name | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide |
Molecular weight | 322.325 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | -0.2 |
Synonyms | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide BRN 0582860 CHEMBL1235128 PA7 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-propylribofuranuronamide [ Show all ] |
Inchi Key | UQGKLARJCHZHSS-QRIDJOKKSA-N |
Inchi ID | InChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1 |
PubChem CID | 3044933 |
ChEMBL | CHEMBL1235128 |
IUPHAR | N/A |
BindingDB | 50389796 |
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 |
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342864 | 2-oxoglutarate receptor 1 | Q6Y1R5 | Oxgr1 | Rattus norvegicus (Rat) | 337 |
342863 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
342867 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
342865 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
342866 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
455333 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
455332 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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