| General Property |
| Molceule ID (DB) | EGIN0003541 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 10 (AG1136) |
| IUPAC Name | (2E)-2-cyano-N-{[(1R,3S)-3-{[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]methyl}cyclohexyl]methyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C28H28N4O6 |
| Mass | 516.5451 |
| Exact Mass | 516.2008846 |
| Composition | C (65.11%), H (5.46%), N (10.85%), O (18.58%) |
| Atom Count | 66 |
| PI | 4.12 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)NC[C@H]1C[C@@H](CNC(=O)/C(=C/c2cc(c(cc2)O)O)/C#N)CCC1)C#N |
| InChI | 1S/C28H28N4O6/c29-13-21(9-17-4-6-23(33)25(35)11-17)27(37)31-15-19-2-1-3-20(8-19)16-32-28(38)22(14-30
)10-18-5-7-24(34)26(36)12-18/h4-7,9-12,19-20,33-36H,1-3,8,15-16H2,(H,31,37)(H,32,38)/b21-9+,22-10+/t
19-,20+ |
| InChIKey | YESNFWRNMLAXJB-MMDXKEKTSA-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 | 8960549 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4486414 |
| ChEMBL Link | CHEMBL357161 |
