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Name | SCHEMBL17077132 |
---|---|
Molecular formula | C28H30F3N5O2S |
IUPAC name | 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-[7-hydroxy-3,3-dimethyl-4-(trifluoromethyl)-2H-indol-1-yl]phenyl]urea |
Molecular weight | 557.636 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 5.7 |
Synonyms | US9540323, 23 |
Inchi Key | BMSMONSMFAGORJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H30F3N5O2S/c1-27(2)15-36(24-21(37)10-9-17(23(24)27)28(29,30)31)20-6-4-3-5-18(20)32-25(38)34-26-33-19-11-12-35(13-16-7-8-16)14-22(19)39-26/h3-6,9-10,16,37H,7-8,11-15H2,1-2H3,(H2,32,33,34,38) |
PubChem CID | 118365916 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 260837 |
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 |
---|---|---|---|---|---|
536697 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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