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Name | CHEMBL402633 |
---|---|
Molecular formula | C24H28N6O5S |
IUPAC name | 1-[9-[(2S,3aR,4R,6S,6aS)-6-(2-hydroxyethylsulfanylmethyl)-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea |
Molecular weight | 512.585 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 1.4 |
Synonyms | N/A |
Inchi Key | AAVKOFURAFBOGG-IQNOQAOZSA-N |
Inchi ID | InChI=1S/C24H28N6O5S/c1-2-25-24(32)29-21-18-22(27-13-26-21)30(14-28-18)23-20-19(16(33-23)12-36-11-10-31)34-17(35-20)9-8-15-6-4-3-5-7-15/h3-9,13-14,16-17,19-20,23,31H,2,10-12H2,1H3,(H2,25,26,27,29,32)/b9-8+/t16-,17+,19-,20-,23-/m1/s1 |
PubChem CID | 44453031 |
ChEMBL | CHEMBL402633 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
564 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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