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Name | CID 11954340 |
---|---|
Molecular formula | C17H21Cl2F3N5Na4O12P3S2 |
IUPAC name | tetrasodium;[dichloro(phosphonato)methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxyphosphinate |
Molecular weight | 864.274 |
Hydrogen bond acceptor | 21 |
Hydrogen bond donor | 3 |
XlogP | None |
Synonyms | N/A |
Inchi Key | COWWROCHWNGJHQ-OPKBHZIBSA-J |
Inchi ID | InChI=1S/C17H25Cl2F3N5O12P3S2.4Na/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32;;;;/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32);;;;/q;4*+1/p-4/t8-,10-,11-,14-;;;;/m1..../s1 |
PubChem CID | 11954340 |
ChEMBL | CHEMBL1097279 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
47066 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
47065 | Uracil nucleotide/cysteinyl leukotriene receptor | Q13304 | GPR17 | Homo sapiens (Human) | 367 |
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