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Name | CHEMBL409304 |
---|---|
Molecular formula | C53H38N6Na6O25S6 |
IUPAC name | hexasodium;8-[[4-(methoxymethyl)-3-[[3-[[3-[[2-(methoxymethyl)-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate |
Molecular weight | 1489.2 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 6 |
XlogP | None |
Synonyms | N/A |
Inchi Key | WLJFOUUDEFSFLM-UHFFFAOYSA-H |
Inchi ID | InChI=1S/C53H44N6O25S6.6Na/c1-83-25-31-11-9-29(51(62)56-39-13-15-43(87(71,72)73)37-21-35(85(65,66)67)23-45(47(37)39)89(77,78)79)19-41(31)58-49(60)27-5-3-7-33(17-27)54-53(64)55-34-8-4-6-28(18-34)50(61)59-42-20-30(10-12-32(42)26-84-2)52(63)57-40-14-16-44(88(74,75)76)38-22-36(86(68,69)70)24-46(48(38)40)90(80,81)82;;;;;;/h3-24H,25-26H2,1-2H3,(H,56,62)(H,57,63)(H,58,60)(H,59,61)(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82);;;;;;/q;6*+1/p-6 |
PubChem CID | 11679780 |
ChEMBL | CHEMBL409304 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. 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 |
---|---|---|---|---|---|
376227 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
376226 | P2Y purinoceptor 11 | Q96G91 | P2RY11 | Homo sapiens (Human) | 374 |
376225 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
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