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Name | 850914-98-6 |
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Molecular formula | C20H23N7O2S2 |
IUPAC name | 8-[benzyl(methyl)amino]-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione |
Molecular weight | 457.571 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | 8-[benzyl(methyl)amino]-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione ChemDiv2_005622 MolPort-002-639-544 STK847731 AB00396686-09 [ Show all ] |
Inchi Key | AEFDHGJQUSAVJD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H23N7O2S2/c1-13-22-23-19(31-13)30-11-10-27-15-16(25(3)20(29)26(4)17(15)28)21-18(27)24(2)12-14-8-6-5-7-9-14/h5-9H,10-12H2,1-4H3 |
PubChem CID | 666437 |
ChEMBL | CHEMBL1470943 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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3399 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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