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Name | CID 136908877 |
---|---|
Molecular formula | C29H17ClN7Na3O11S3 |
IUPAC name | trisodium;1-amino-4-[4-[[6-chloro-4-(3-sulfonatophenyl)imino-1H-1,3,5-triazin-2-ylidene]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate |
Molecular weight | 840.092 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 4 |
XlogP | None |
Synonyms | N/A |
Inchi Key | VZPXDCIISFTYOM-UHFFFAOYSA-K |
Inchi ID | InChI=1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3 |
PubChem CID | 136908877 |
ChEMBL | CHEMBL223344 |
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 |
---|---|---|---|---|---|
368117 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
368120 | P2Y purinoceptor 11 | Q96G91 | P2RY11 | Homo sapiens (Human) | 374 |
368113 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
368121 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
368114 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
368115 | P2Y purinoceptor 2 | P35383 | P2ry2 | Mus musculus (Mouse) | 373 |
368119 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
368116 | P2Y purinoceptor 6 | Q63371 | P2ry6 | Rattus norvegicus (Rat) | 328 |
368118 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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