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Name | CHEMBL1256935 |
---|---|
Molecular formula | C10H11ClN5O13P3-4 |
IUPAC name | [[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate |
Molecular weight | 537.591 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 3 |
XlogP | -5.1 |
Synonyms | BDBM50422406 NCGC00162130-02 NCGC00162130-01 |
Inchi Key | RNGCVFCOKZEZFL-UUOKFMHZSA-J |
Inchi ID | InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t3-,5-,6-,9-/m1/s1 |
PubChem CID | 23279503 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50422406 |
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 |
---|---|---|---|---|---|
300461 | P2Y purinoceptor 1 | P49651 | P2ry1 | Rattus norvegicus (Rat) | 373 |
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