| General Property |
| Molceule ID (DB) | EGIN0003201 |
| Inhibitor Class | Bisindolylmaleimide |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | 20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[24.6.1.1^{7,14}.0^{2,6}.0^{8,13}.0^{27,32}]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione |
| Formula | C30H32N4O4 |
| Mass | 512.5995 |
| Exact Mass | 512.2423555 |
| Composition | C (70.29%), H (6.29%), N (10.93%), O (12.48%) |
| Atom Count | 70 |
| PI | 9.22 |
| Smiles | C12=C(c3cn(c4c3cccc4)CCOCCN(CC)CCOCCn3cc1c1c3cccc1)C(=O)NC2=O |
| InChI | 1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(1
4-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36) |
| InChIKey | SFDFKLDQKSPRHB-UHFFFAOYSA-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 | 12941331 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Casein kinase 1 | Casein kinase 2 | Insulin receptor kinase beta | MAP kinase/ERK2 | VEGFR2 | Protein kinase A | GSK-3 beta | CDK1 | PDGFR | Calmodulin kinase 2 | ALL |
| Pub Chem Link |
10207821
|
| Drug Bank Link | - |
| ChemSpider Link | 8383318 |
| ChEMBL Link | CHEMBL103055 |
