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Name | CHEMBL3719375 |
---|---|
Molecular formula | C31H28N4O7S2 |
IUPAC name | methyl 4-[4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]oxan-4-yl]benzoate |
Molecular weight | 632.706 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 0 |
XlogP | 5.7 |
Synonyms | BDBM176127 SCHEMBL15349026 US9688695, 160 |
Inchi Key | BFSKCTYEANSQMB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H28N4O7S2/c1-37-21-12-24(22-14-26(42-25(22)13-21)23-15-35-29(33-23)44-30(34-35)39-3)41-16-20-17-43-28(32-20)31(8-10-40-11-9-31)19-6-4-18(5-7-19)27(36)38-2/h4-7,12-15,17H,8-11,16H2,1-3H3 |
PubChem CID | 89873005 |
ChEMBL | CHEMBL3719375 |
IUPHAR | N/A |
BindingDB | 176127 |
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 |
---|---|---|---|---|---|
522224 | Proteinase-activated receptor 4 | Q96RI0 | F2RL3 | Homo sapiens (Human) | 385 |
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