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Name | SCHEMBL15597151 |
---|---|
Molecular formula | C28H23ClF3N3O3S |
IUPAC name | 1-[2-[4-(5-chlorothiophen-2-yl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea |
Molecular weight | 574.015 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 8.2 |
Synonyms | US9540323, 121 |
Inchi Key | BHUKGYWOUSQVPU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H23ClF3N3O3S/c1-27(2)15-35(25-21(36)12-11-18(24(25)27)22-13-14-23(29)39-22)20-6-4-3-5-19(20)34-26(37)33-16-7-9-17(10-8-16)38-28(30,31)32/h3-14,36H,15H2,1-2H3,(H2,33,34,37) |
PubChem CID | 90063094 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 260930 |
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 |
---|---|---|---|---|---|
536595 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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