| General Property |
| Molceule ID (DB) | EGIN0003490 |
| Inhibitor Class | Indole |
| Molecule Name in Refrence Article | 13 (R-enantiomer) |
| IUPAC Name | (2R)-2-[3-({3-[(4-chlorophenyl)carbonyl]-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl}methyl)phenoxy]propanoic acid |
| Formula | C27H21ClF3NO5 |
| Mass | 531.908 |
| Exact Mass | 531.1060351 |
| Composition | C (60.97%), H (3.98%), Cl (6.67%), F (10.72%), N (2.63%), O (15.04%) |
| Atom Count | 58 |
| PI | No isoelectric point. |
| Smiles | c1(ccc2c(c1)n(c(c2C(=O)c1ccc(cc1)Cl)C)Cc1cc(ccc1)O[C@@H](C(=O)O)C)OC(F)(F)F |
| InChI | 1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-
4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1 |
| InChIKey | DHUATBAZHILHIC-MRXNPFEDSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 18701276 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | 5-LO | PDE3 | PDE2 | HERG | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23330709 |
| ChEMBL Link | CHEMBL461571 |
