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Name | SCHEMBL2773794 |
---|---|
Molecular formula | C32H25F3N4O4S |
IUPAC name | 3-[2-(4-methylphenyl)ethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-dione |
Molecular weight | 618.631 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 7.2 |
Synonyms | US8501750, 59 CHEMBL3640124 BDBM99945 |
Inchi Key | BBWLIANAFFZYLX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H25F3N4O4S/c1-19-6-8-20(9-7-19)14-15-38-28(40)26-16-23(17-32(33,34)35)44-29(26)39(31(38)42)18-21-10-12-22(13-11-21)24-4-2-3-5-25(24)27-36-30(41)43-37-27/h2-13,16H,14-15,17-18H2,1H3,(H,36,37,41) |
PubChem CID | 136052261 |
ChEMBL | CHEMBL3640124 |
IUPHAR | N/A |
BindingDB | 99945 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
19895 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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