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Name | CHEMBL408014 |
---|---|
Molecular formula | C39H28N4Na6O21S6 |
IUPAC name | hexasodium;8-[[4-ethyl-3-[[2-ethyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonate |
Molecular weight | 1218.96 |
Hydrogen bond acceptor | 21 |
Hydrogen bond donor | 4 |
XlogP | None |
Synonyms | N/A |
Inchi Key | VUJVBISMADOGLL-UHFFFAOYSA-H |
Inchi ID | InChI=1S/C39H34N4O21S6.6Na/c1-3-19-5-7-21(37(44)40-27-9-11-31(67(53,54)55)25-15-23(65(47,48)49)17-33(35(25)27)69(59,60)61)13-29(19)42-39(46)43-30-14-22(8-6-20(30)4-2)38(45)41-28-10-12-32(68(56,57)58)26-16-24(66(50,51)52)18-34(36(26)28)70(62,63)64;;;;;;/h5-18H,3-4H2,1-2H3,(H,40,44)(H,41,45)(H2,42,43,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;;/q;6*+1/p-6 |
PubChem CID | 13660943 |
ChEMBL | CHEMBL408014 |
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 |
---|---|---|---|---|---|
364555 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
364554 | P2Y purinoceptor 11 | Q96G91 | P2RY11 | Homo sapiens (Human) | 374 |
364556 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
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