| General Property |
| Molceule ID (DB) | EGIN0004174 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 89d compound |
| IUPAC Name | (4Z)-4-[({[4-(furan-3-yl)-3-hydroxyphenyl]methyl}amino)methylidene]-6-iodo-1,2,3,4-tetrahydroisoquinoline-1,3-dione |
| Formula | C21H15IN2O4 |
| Mass | 486.2593 |
| Exact Mass | 486.0076504 |
| Composition | C (51.87%), H (3.11%), I (26.1%), N (5.76%), O (13.16%) |
| Atom Count | 43 |
| PI | 5.51 |
| Smiles | c1(ccc2c(c1)/C(=C/NCc1cc(c(cc1)c1ccoc1)O)/C(=O)NC2=O)I |
| InChI | 1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-
13/h1-8,10-11,23,25H,9H2,(H,24,26,27)/b18-10- |
| InChIKey | CUISPPCDYZFGCY-ZDLGFXPLSA-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 | 19317452 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Braf | IGFR | IKK-2 | IR | LCK | p70S6 | Src | Tpl2 | KDR | AKT | STAT3 | PDK1 | mTOR | MK2 | CDK1 | PKC theta | CDK2 | CDK4 | LYN | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24710238 |
| ChEMBL Link | CHEMBL504547 |
