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Name | CHEMBL375682 |
---|---|
Molecular formula | C14H18N6O8P2 |
IUPAC name | [(1R,2S,4S,5S)-4-[2-cyano-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate |
Molecular weight | 460.28 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 5 |
XlogP | -2.5 |
Synonyms | BDBM50215402 (1''R,2''S,4''R,5''S)-phosphoric acid mono-[4-(2-cyano-6-methylaminopurin-9-yl)-1-phosphonooxymethyl-bicyclo[3.1.0]hex-2-yl]ester |
Inchi Key | AZMCJQGMBZKTHT-JWUFEOHASA-N |
Inchi ID | InChI=1S/C14H18N6O8P2/c1-16-12-11-13(19-10(4-15)18-12)20(6-17-11)8-2-9(28-30(24,25)26)14(3-7(8)14)5-27-29(21,22)23/h6-9H,2-3,5H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t7-,8+,9+,14+/m1/s1 |
PubChem CID | 44425066 |
ChEMBL | CHEMBL375682 |
IUPHAR | N/A |
BindingDB | 50215402 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
18309 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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