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Name | CHEMBL3719217 |
---|---|
Molecular formula | C28H22F3N5O5S2 |
IUPAC name | 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)benzamide |
Molecular weight | 629.629 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 1 |
XlogP | 6.2 |
Synonyms | BDBM176014 SCHEMBL15349257 US9688695, 47 |
Inchi Key | BPKFYXPNQKOHIL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H22F3N5O5S2/c1-14-20(33-25(42-14)16-6-4-15(5-7-16)24(37)32-13-28(29,30)31)12-40-21-8-17(38-2)9-22-18(21)10-23(41-22)19-11-36-26(34-19)43-27(35-36)39-3/h4-11H,12-13H2,1-3H3,(H,32,37) |
PubChem CID | 72189344 |
ChEMBL | CHEMBL3719217 |
IUPHAR | N/A |
BindingDB | 176014 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
522440 | Proteinase-activated receptor 4 | Q96RI0 | F2RL3 | Homo sapiens (Human) | 385 |
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