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Name | CHEMBL1643775 |
---|---|
Molecular formula | C22H20F4N2O4S |
IUPAC name | 2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-3-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid |
Molecular weight | 484.466 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | BDBM50333870 (R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid |
Inchi Key | BAURARYTOUFKMG-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C22H20F4N2O4S/c1-27(33(31,32)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(29)30)17-8-2-13(22(24,25)26)10-20(17)28(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,29,30)/t15-/m1/s1 |
PubChem CID | 53324589 |
ChEMBL | CHEMBL1643775 |
IUPHAR | N/A |
BindingDB | 50333870 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
19206 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
19204 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
19205 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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