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Name | CHEMBL2364565 |
---|---|
Molecular formula | C14H20N5O14P3-4 |
IUPAC name | [[[(2R,3S,4R,5R)-5-(6-amino-2-butoxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate |
Molecular weight | 575.256 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 3 |
XlogP | -4.5 |
Synonyms | BDBM50422301 |
Inchi Key | DMFBMLZZTHMYFF-QYVSTXNMSA-J |
Inchi ID | InChI=1S/C14H24N5O14P3/c1-2-3-4-29-14-17-11(15)8-12(18-14)19(6-16-8)13-10(21)9(20)7(31-13)5-30-35(25,26)33-36(27,28)32-34(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,17,18)(H2,22,23,24)/p-4/t7-,9-,10-,13-/m1/s1 |
PubChem CID | 91900190 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50422301 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
63613 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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