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Name | CHEMBL2051757 |
---|---|
Molecular formula | C11H14N4O3 |
IUPAC name | (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol |
Molecular weight | 250.258 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | -1.5 |
Synonyms | (+)-7-Deaza-5'-noraristeromycin AC1NRPSV (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol BDBM50408389 1,2,3-Cyclopentanetriol, 4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, (1R,2S,3R,4S)- |
Inchi Key | DEXGSOQQTISOEO-KDXUFGMBSA-N |
Inchi ID | InChI=1S/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/m0/s1 |
PubChem CID | 5270728 |
ChEMBL | CHEMBL2051757 |
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 |
---|---|---|---|---|---|
443989 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
443990 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
58231 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
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