You can:
Name | CHEMBL175814 |
---|---|
Molecular formula | C21H23ClN6O3S |
IUPAC name | (1R,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-methylsulfanylpurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide |
Molecular weight | 474.964 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 1.9 |
Synonyms | (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-(methylthio)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide BDBM50163027 CHEMBL2112161 1N-methyl-4-[6-(3-chlorobenzylamino)-2-methylsulfanyl-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide |
Inchi Key | TUKMYFNCYLCVRZ-YIVQXCEWSA-N |
Inchi ID | InChI=1S/C21H23ClN6O3S/c1-23-19(31)21-7-12(21)14(15(29)16(21)30)28-9-25-13-17(26-20(32-2)27-18(13)28)24-8-10-4-3-5-11(22)6-10/h3-6,9,12,14-16,29-30H,7-8H2,1-2H3,(H,23,31)(H,24,26,27)/t12-,14-,15+,16+,21-/m1/s1 |
PubChem CID | 71457990 |
ChEMBL | CHEMBL2112161 |
IUPHAR | N/A |
BindingDB | 50163027 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
327778 | Adenosine receptor A1 | Q60612 | Adora1 | Mus musculus (Mouse) | 326 |
327779 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
327780 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
327781 | Adenosine receptor A2a | Q60613 | Adora2a | Mus musculus (Mouse) | 410 |
327782 | Adenosine receptor A3 | Q61618 | Adora3 | Mus musculus (Mouse) | 319 |
454716 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218